Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)-
TL;DR: Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)- (CAS 79982-61-9) is a chemical compound with molecular formula C36H56O9 and molecular weight 632.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4aS,6aR,6aR,6bR,10S,12aR,14bR)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
Also Known As: Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)-, 3-[(6-Deoxyhexopyranosyl)oxy]urs-12-ene-27,28-dioic acid, (1S,2R,4aS,6aR,6aR,6bR,10S,12aR,14bR)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid, (5xi)-3beta-[(6-Deoxy-alpha-L-galactopyranosyl)oxy]-18alpha-urs-12-ene-27,28-dioic acid
| Molecular Formula | C36H56O9 |
|---|---|
| Molecular Weight | 632.39 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 632.39246 |
| Heavy Atoms | 45 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 79982-61-9 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)C)C)[C@H]2[C@H]1C)C(=O)O)C(=O)O |
| InChIKey | PUOQHFWXBKTHST-PYIBBUTPSA-N |
Product Overview
Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)- (CAS 79982-61-9), with molecular formula C36H56O9 and molecular weight 632.39 g/mol. IUPAC: (1S,2R,4aS,6aR,6aR,6bR,10S,12aR,14bR)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid.
Chemical Property Profile of Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)-
Property Insights of Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)-
The XLogP value of 4.8 indicates that Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)- has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)-?
The CAS number of Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)- is 79982-61-9.
What is the molecular formula of Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)-?
The molecular formula of Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)- is C36H56O9.
What is the molecular weight of Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)-?
The molecular weight of Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)- is 632.39 g/mol.
Where can I buy Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)-?
You can request a quote for Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for Urs-12-ene-27,28-dioic acid, 3-((6-deoxy-alpha-L-galactopyranosyl)oxy)-, (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.