Deoxypentalenylglucuron
TL;DR: Deoxypentalenylglucuron (CAS 92155-94-7) is a chemical compound with molecular formula C21H30O8 and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid
Also Known As: Deoxypentalenylglucuron, (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid, 1-o-{[(3ar,5as)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalen-4-yl]carbonyl}-, A-d-glucopyranuronic acid, (2S,3S,4S,5R,6R)-6-[(3aR,5aS)-1,7,7-trimethyl-2,3,3a,5a,6,8-hexahydro-1H-cyclopenta[h]pentalene-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C21H30O8 |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.19406 |
| Heavy Atoms | 29 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 92155-94-7 |
|---|---|
| SMILES | CC1CC[C@@H]2C13CC(C[C@H]3C=C2C(=O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)(C)C |
| InChIKey | BFYOGFPGIVIQCC-PLCONXLHSA-N |
Product Overview
Deoxypentalenylglucuron (CAS 92155-94-7), with molecular formula C21H30O8 and molecular weight 410.19 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Deoxypentalenylglucuron
Property Insights of Deoxypentalenylglucuron
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxypentalenylglucuron. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxypentalenylglucuron. Following Lipinski's Rule of Five, Deoxypentalenylglucuron has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deoxypentalenylglucuron?
The CAS number of Deoxypentalenylglucuron is 92155-94-7.
What is the molecular formula of Deoxypentalenylglucuron?
The molecular formula of Deoxypentalenylglucuron is C21H30O8.
What is the molecular weight of Deoxypentalenylglucuron?
The molecular weight of Deoxypentalenylglucuron is 410.19 g/mol.
Where can I buy Deoxypentalenylglucuron?
You can request a quote for Deoxypentalenylglucuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxypentalenylglucuron?
Yes, KEHONG BIO provides custom synthesis services for Deoxypentalenylglucuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.