V-28-3B methyl ester

Base Information

• Chemical Name: V-28-3B methyl ester
• CAS No.: 134002-39-4
• Molecular Formula: C59H86N2O19
• Molecular Weight: 1127.3161
• Mol file: 134002-39-4.mol

Synonyms:V-28-3B methyl ester;134002-39-4;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)-;SCHEMBL3506988;GIDIUOCSTCGLRW-QJSPMWJNSA-N;Candicidin D, 40-demethyl-3,7-dideoxo-3,7-dihydroxy-5-oxo-, methyl ester,cyclic 15,19-hemiacetal, (1'.xi.)-;methyl (4E,6E,8E,10E,12E,14E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19-[6-(4-aminophenyl)-4-hydroxy-1-methyl-6-oxo-hexyl]-23,27,29,31,33,35,37-heptahydroxy-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate

Chemical Property of V-28-3B methyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1255.2°C at 760 mmHg
• Flash Point: 712.9°C
• Density: 1.33g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 11
• Exact Mass: 1126.58247852
• Heavy Atom Count: 80
• Complexity: 2120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)N)O)O)O)O)O)O)O)O)C(=O)OC)OC4C(C(C(C(O4)C)O)N)O
• Isomeric 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