A28695B
TL;DR: A28695B (CAS 42617-35-6) is a chemical compound with molecular formula C48H82O17 and molecular weight 930.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(3S,4S,5S,6S)-6-[[(2R,3R,4R,6R,7R,9S)-2-[5-[(2S,5R)-5-[(3S,4R,5R,6S)-4,6-dihydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]propaneperoxoic acid
Also Known As: Antibiotic A 28695B, (27R)-27-Hydroxyseptamycin, Septamycin, 27-hydroxy-, (27R)-, A 28695B, A-28695B
| Molecular Formula | C48H82O17 |
|---|---|
| Molecular Weight | 930.56 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 930.5552 |
| Heavy Atoms | 65 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 42617-35-6 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H]([C@@](OC1[C@H]2CC[C@H](O2)C3CCC(O3)[C@@]4([C@@H]([C@H](C5(O4)[C@@H]([C@@H](C[C@H](O5)C[C@H]6[C@]([C@H]([C@H](C(O6)[C@@H](C)C(=O)OO)C)OC)(C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)OC)C)C)OC)C)(C)O)C)O |
| InChIKey | GJYVPDGCHSDXJJ-OCDSFIMYSA-N |
Product Overview
A28695B (CAS 42617-35-6), with molecular formula C48H82O17 and molecular weight 930.56 g/mol. IUPAC: (2R)-2-[(3S,4S,5S,6S)-6-[[(2R,3R,4R,6R,7R,9S)-2-[5-[(2S,5R)-5-[(3S,4R,5R,6S)-4,6-dihydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]propaneperoxoic acid.
Chemical Property Profile of A28695B
Property Insights of A28695B
The XLogP value of 4.5 indicates that A28695B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting A28695B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A28695B has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A28695B?
The CAS number of A28695B is 42617-35-6.
What is the molecular formula of A28695B?
The molecular formula of A28695B is C48H82O17.
What is the molecular weight of A28695B?
The molecular weight of A28695B is 930.56 g/mol.
Where can I buy A28695B?
You can request a quote for A28695B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A28695B?
Yes, KEHONG BIO provides custom synthesis services for A28695B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.