Pavoninin 6
TL;DR: Pavoninin 6 (CAS 94359-65-6) is a chemical compound with molecular formula C37H61NO9 and molecular weight 663.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,6R)-6-[(10S,13R,15R,17R)-15-[(2R,3R,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate
Also Known As: Pavoninin 6, (8xi,9xi,14xi,25R)-15beta-({2-Deoxy-2-[(1-hydroxyethylidene)amino]-alpha-L-idopyranosyl}oxy)-3-hydroxycholest-6-en-26-yl acetate, 15-({2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}oxy)-3-hydroxycholest-6-en-26-yl acetate, beta-D-Glucopyranoside, (3beta,5alpha,15alpha,25R)-26-(acetyloxy)- 3-hydroxycholest-6-en-15-yl 2-(acetylamino)-2-deoxy-
| Molecular Formula | C37H61NO9 |
|---|---|
| Molecular Weight | 663.43 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 663.43463 |
| Heavy Atoms | 47 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 94359-65-6 |
|---|---|
| SMILES | C[C@H](CCC[C@@H](C)[C@H]1C[C@H](C2[C@@]1(CCC3C2C=CC4[C@@]3(CCC(C4)O)C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)NC(=O)C)COC(=O)C |
| InChIKey | PMUDSLBCMZIQTR-CCLGWLKOSA-N |
Product Overview
Pavoninin 6 (CAS 94359-65-6), with molecular formula C37H61NO9 and molecular weight 663.43 g/mol. IUPAC: [(2R,6R)-6-[(10S,13R,15R,17R)-15-[(2R,3R,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate.
Chemical Property Profile of Pavoninin 6
Property Insights of Pavoninin 6
The XLogP value of 5.0 indicates that Pavoninin 6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Pavoninin 6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pavoninin 6 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 Pavoninin 6?
The CAS number of Pavoninin 6 is 94359-65-6.
What is the molecular formula of Pavoninin 6?
The molecular formula of Pavoninin 6 is C37H61NO9.
What is the molecular weight of Pavoninin 6?
The molecular weight of Pavoninin 6 is 663.43 g/mol.
Where can I buy Pavoninin 6?
You can request a quote for Pavoninin 6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pavoninin 6?
Yes, KEHONG BIO provides custom synthesis services for Pavoninin 6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.