ChemSpider 2D Image | Vincaleukoblastine | C46H58N4O9

Vincaleukoblastine

  • Molecular FormulaC46H58N4O9
  • Average mass810.974 Da
  • Monoisotopic mass810.420349 Da
  • ChemSpider ID5142930
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2α,3α,4α,5β,19β)-Vincaleukoblastin [German] [ACD/IUPAC Name]
(2α,3α,4α,5β,19β)-Vincaleukoblastine [ACD/IUPAC Name]
(2α,3α,4α,5β,19β)-Vincaleukoblastine [French] [ACD/IUPAC Name]
Vincaleukoblastine [ACD/Index Name] [ACD/IUPAC Name]
Vincaleukoblastine, (2α,3α,4α,5β,19β)- [ACD/Index Name]
CHEMBL378544
methyl 12-ethyl-4-[17-ethyl-17-hydroxy-13-methyloxycarbonyl-(13S,17S)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-11-methylcarbonyloxy-(1R,9R,10S,11R,12R,19R)-
Velban [Trade name] [Wiki]
Vinblastine [INN] [Wiki]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

KBio3_003033 [DBID]
NChemBio.2007.10-comp22 [DBID]
SPBio_000680 [DBID]
Spectrum2_000890 [DBID]
Spectrum3_001994 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 220.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 15.93
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 279.88
ACD/KOC (pH 7.4): 1428.71
Polar Surface Area: 154 Å2
Polarizability: 87.5±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 590.0±5.0 cm3

Click to predict properties on the Chemicalize site






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