![(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one structure](/static/products/145/145436-56-2.png)
(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one
TL;DR: (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one (CAS 145436-56-2) is a chemical compound with molecular formula C38H73N3O11 and molecular weight 747.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(2R,4R,5S,6S)-5-amino-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-1-oxa-7-azacyclopentadecan-15-one
Also Known As: (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one
| Molecular Formula | C38H73N3O11 |
|---|---|
| Molecular Weight | 747.52 g/mol |
| LogP | 1.8671 |
| Topological Polar Surface Area | 185.87 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 747.52454 |
| Heavy Atoms | 52 |
| Complexity | 1145.5105 |
Chemical Identifiers
| CAS Number | 145436-56-2 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](CN([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)N)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O |
Product Overview
(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one (CAS 145436-56-2), with molecular formula C38H73N3O11 and molecular weight 747.52 g/mol. IUPAC: (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(2R,4R,5S,6S)-5-amino-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-1-oxa-7-azacyclopentadecan-15-one.
Chemical Property Profile of (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one
Property Insights of (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one
The XLogP value of 1.8671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one. The TPSA of 185.87 Ų indicates high polarity, suggesting (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one?
The CAS number of (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one is 145436-56-2.
What is the molecular formula of (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one?
The molecular formula of (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one is C38H73N3O11.
What is the molecular weight of (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one?
The molecular weight of (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one is 747.52 g/mol.
Where can I buy (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one?
You can request a quote for (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(4-Amino-2,4,6-trideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,7,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-I(2)-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.