Antibiotic A-27106
TL;DR: Antibiotic A-27106 (CAS 58936-31-5) is a chemical compound with molecular formula C42H72O16 and molecular weight 832.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[5-ethyl-5-[5-[6-hydroxy-3,5-dimethyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
Also Known As: Antibiotic A-27106, A-27106, 4-[2-(2-Ethyl-5'-{6-[(hexopyranosyloxy)methyl]-6-hydroxy-3,5-dimethyloxan-2-yl}-3'-methyl[2,2'-bioxolan]-5-yl)-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid, 4-[3-[5-ethyl-5-[5-[6-hydroxy-3,5-dimethyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
| Molecular Formula | C42H72O16 |
|---|---|
| Molecular Weight | 832.48 g/mol |
| LogP | 2.0971 |
| Topological Polar Surface Area | 232.52 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 832.48206 |
| Heavy Atoms | 58 |
| Complexity | 1404.4603 |
Chemical Identifiers
| CAS Number | 58936-31-5 |
|---|---|
| SMILES | CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(COC6C(C(C(C(O6)CO)O)O)O)O)C)C)C |
Product Overview
Antibiotic A-27106 (CAS 58936-31-5), with molecular formula C42H72O16 and molecular weight 832.48 g/mol. IUPAC: 4-[2-[5-ethyl-5-[5-[6-hydroxy-3,5-dimethyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid.
Chemical Property Profile of Antibiotic A-27106
Property Insights of Antibiotic A-27106
The XLogP value of 2.0971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antibiotic A-27106. The TPSA of 232.52 Ų indicates high polarity, suggesting Antibiotic A-27106 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antibiotic A-27106 has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antibiotic A-27106?
The CAS number of Antibiotic A-27106 is 58936-31-5.
What is the molecular formula of Antibiotic A-27106?
The molecular formula of Antibiotic A-27106 is C42H72O16.
What is the molecular weight of Antibiotic A-27106?
The molecular weight of Antibiotic A-27106 is 832.48 g/mol.
Where can I buy Antibiotic A-27106?
You can request a quote for Antibiotic A-27106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic A-27106?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic A-27106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.