D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester
TL;DR: D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester (CAS 73072-90-9) is a chemical compound with molecular formula C30H53N3O12 and molecular weight 647.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-decan-5-yl 5-O-methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]pentanedioate
Also Known As: D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester, 1-O-decan-5-yl 5-O-methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]pentanedioate, decan-5-yl methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]pentanedioate
| Molecular Formula | C30H53N3O12 |
|---|---|
| Molecular Weight | 647.36 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 647.3629 |
| Heavy Atoms | 45 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 73072-90-9 |
|---|---|
| SMILES | CCCCCC(CCCC)OC(=O)[C@@H](CCC(=O)OC)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C |
| InChIKey | GKSPNXPORMASHL-HWBDPLGESA-N |
Product Overview
D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester (CAS 73072-90-9), with molecular formula C30H53N3O12 and molecular weight 647.36 g/mol. IUPAC: 1-O-decan-5-yl 5-O-methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]pentanedioate.
Chemical Property Profile of D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester
Property Insights of D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester. The TPSA of 219.0 Ų indicates high polarity, suggesting D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester?
The CAS number of D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester is 73072-90-9.
What is the molecular formula of D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester?
The molecular formula of D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester is C30H53N3O12.
What is the molecular weight of D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester?
The molecular weight of D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester is 647.36 g/mol.
Where can I buy D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester?
You can request a quote for D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for D-Glutamic acid, N-(N-(N-acetylmuramoyl)-L-alanyl)-, 5-decyl 1-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.