L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-
TL;DR: L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))- (CAS 158109-41-2) is a chemical compound with molecular formula C63H95N3O25 and molecular weight 1293.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-[[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]carbamoyl]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]amino]pentanedioate
Also Known As: L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-, dimethyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-[[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]carbamoyl]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]amino]pentanedioate
| Molecular Formula | C63H95N3O25 |
|---|---|
| Molecular Weight | 1293.63 g/mol |
| LogP | 0.8248 |
| Topological Polar Surface Area | 400.24 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 22 |
| Exact Mass | 1293.6255 |
| Heavy Atoms | 91 |
| Complexity | 2795.5356 |
Chemical Identifiers
| CAS Number | 158109-41-2 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)O)O)O)C)(C)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC |
Product Overview
L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))- (CAS 158109-41-2), with molecular formula C63H95N3O25 and molecular weight 1293.63 g/mol. IUPAC: dimethyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-[[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]carbamoyl]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]amino]pentanedioate.
Chemical Property Profile of L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-
Property Insights of L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-
The XLogP value of 0.8248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-. The TPSA of 400.24 Ų indicates high polarity, suggesting L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))- has 8 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-?
The CAS number of L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))- is 158109-41-2.
What is the molecular formula of L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-?
The molecular formula of L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))- is C63H95N3O25.
What is the molecular weight of L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-?
The molecular weight of L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))- is 1293.63 g/mol.
Where can I buy L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-?
You can request a quote for L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))-?
Yes, KEHONG BIO provides custom synthesis services for L-Glutamic acid, N-((3-beta-20-beta)-3-((N-(4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-2-O-(N-4-methoxy-1-(methoxycarbonyl)-4-oxobutyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronamidosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-, dimethyl ester, (S-(R*,R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.