D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate
TL;DR: D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate (CAS 135086-55-4) is a chemical compound with molecular formula C21H31NO13 and molecular weight 505.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,3S,4S,5S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]acetate
Also Known As: D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate, methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,3S,4S,5S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]acetate, Methyl 1,2,3,4-tetra-O-acetyl-6-[(tert-butoxycarbonyl)amino]-6-deoxy-D-glycero-alpha-D-talo-heptopyranuronate
| Molecular Formula | C21H31NO13 |
|---|---|
| Molecular Weight | 505.18 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 505.17953 |
| Heavy Atoms | 35 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 135086-55-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@H]([C@H](O[C@@H]([C@H]1OC(=O)C)OC(=O)C)[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)OC(=O)C |
| InChIKey | MLQPGPZCOQDBBV-KYJUOOMLSA-N |
Product Overview
D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate (CAS 135086-55-4), with molecular formula C21H31NO13 and molecular weight 505.18 g/mol. IUPAC: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,3S,4S,5S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]acetate.
Chemical Property Profile of D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate
Property Insights of D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate. The TPSA of 179.0 Ų indicates high polarity, suggesting D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate?
The CAS number of D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate is 135086-55-4.
What is the molecular formula of D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate?
The molecular formula of D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate is C21H31NO13.
What is the molecular weight of D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate?
The molecular weight of D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate is 505.18 g/mol.
Where can I buy D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate?
You can request a quote for D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.