O-Glucuronopyranosyl bacteriohopanetetrol
TL;DR: O-Glucuronopyranosyl bacteriohopanetetrol (CAS 144599-05-3) is a chemical compound with molecular formula C41H70O10 and molecular weight 722.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[(2S,3R,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: O-GPB, O-Glucuronopyranosyl bacteriohopanetetrol, O-alpha-D-Glucuronopyranosyl bacteriohopanetetrol, (2S,3S,4S,5R,6S)-6-[(2S,3R,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C41H70O10 |
|---|---|
| Molecular Weight | 722.50 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 722.4969 |
| Heavy Atoms | 51 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 144599-05-3 |
|---|---|
| SMILES | C[C@H](CC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O)O)[C@H]2CC[C@]3([C@H]2CC[C@@]4([C@@H]3CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CCCC6(C)C)C)C)C)C |
| InChIKey | SSVGOKCWDNWMHB-XGFMURHTSA-N |
Product Overview
O-Glucuronopyranosyl bacteriohopanetetrol (CAS 144599-05-3), with molecular formula C41H70O10 and molecular weight 722.50 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[(2S,3R,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of O-Glucuronopyranosyl bacteriohopanetetrol
Property Insights of O-Glucuronopyranosyl bacteriohopanetetrol
The XLogP value of 7.8 indicates that O-Glucuronopyranosyl bacteriohopanetetrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting O-Glucuronopyranosyl bacteriohopanetetrol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-Glucuronopyranosyl bacteriohopanetetrol has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-Glucuronopyranosyl bacteriohopanetetrol?
The CAS number of O-Glucuronopyranosyl bacteriohopanetetrol is 144599-05-3.
What is the molecular formula of O-Glucuronopyranosyl bacteriohopanetetrol?
The molecular formula of O-Glucuronopyranosyl bacteriohopanetetrol is C41H70O10.
What is the molecular weight of O-Glucuronopyranosyl bacteriohopanetetrol?
The molecular weight of O-Glucuronopyranosyl bacteriohopanetetrol is 722.50 g/mol.
Where can I buy O-Glucuronopyranosyl bacteriohopanetetrol?
You can request a quote for O-Glucuronopyranosyl bacteriohopanetetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Glucuronopyranosyl bacteriohopanetetrol?
Yes, KEHONG BIO provides custom synthesis services for O-Glucuronopyranosyl bacteriohopanetetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.