V-28-3B甲酯
TL;DR: V-28-3B甲酯 (CAS 134002-39-4) is a chemical compound with molecular formula C59H86N2O19 and molecular weight 1126.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
V-28-3B甲酯
methyl (19E,21E,23E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,9,13,37-heptahydroxy-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Also Known As: V-28-3B methyl ester, MEPARTRICIN, VM, 43-(4-Aminophenyl)-21-(3-amino-3,6-dideoxy-beta-D-mannopyranosyloxy)-15,19-epoxy-3,7,9,11,13,15,17,41-octahydroxy-18-(methoxycarbonyl)-36,38-dimethyl-5,43-dioxotritetraconta-22(E),24(E),26(E),28(E),30(E),32(E),34(E)-heptaeno-37-lactone, Candicidin D, 40-demethyl-3,7-dideoxo-3,7-dihydroxy-5-oxo-, methyl ester,cyclic 15,19-hemiacetal, (1'xi)-
| Molecular Formula | C59H86N2O19 |
|---|---|
| Molecular Weight | 1126.58 g/mol |
| LogP | 2.3748 |
| Topological Polar Surface Area | 368.77 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 1126.5825 |
| Heavy Atoms | 80 |
| Complexity | 2302.2197 |
Chemical Identifiers
| CAS Number | 134002-39-4 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC\2CC3C(C(CC(O3)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)C4=CC=C(C=C4)N)O)O)O)O)O)O)O)O)C(=O)OC)O)N)O |
Product Overview
V-28-3B甲酯 (CAS 134002-39-4), with molecular formula C59H86N2O19 and molecular weight 1126.58 g/mol. IUPAC: methyl (19E,21E,23E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,9,13,37-heptahydroxy-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate.
Chemical Property Profile of V-28-3B甲酯
Property Insights of V-28-3B甲酯
The XLogP value of 2.3748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for V-28-3B甲酯. The TPSA of 368.77 Ų indicates high polarity, suggesting V-28-3B甲酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, V-28-3B甲酯 has 12 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of V-28-3B甲酯?
The CAS number of V-28-3B甲酯 is 134002-39-4.
What is the molecular formula of V-28-3B甲酯?
The molecular formula of V-28-3B甲酯 is C59H86N2O19.
What is the molecular weight of V-28-3B甲酯?
The molecular weight of V-28-3B甲酯 is 1126.58 g/mol.
Where can I buy V-28-3B甲酯?
You can request a quote for V-28-3B甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for V-28-3B甲酯?
Yes, KEHONG BIO provides custom synthesis services for V-28-3B甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.