ChemSpider 2D Image | vinleurosine | C46H56N4O9

vinleurosine

  • Molecular FormulaC46H56N4O9
  • Average mass808.958 Da
  • Monoisotopic mass808.404724 Da
  • ChemSpider ID228125

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,3α,3'β,4α,5β,19β)-O3',3'-Cyclovincaleukoblastin [German] [ACD/IUPAC Name]
(2α,3α,3'β,4α,5β,19β)-O3',3'-Cyclovincaleukoblastine [ACD/IUPAC Name]
(2α,3α,3'β,4α,5β,19β)-O3',3'-Cyclovincaleukoblastine [French] [ACD/IUPAC Name]
23360-92-1 [RN]
803MS59U85
LEUROSINE
O3',3'-Cyclovincaleukoblastine, (2α,3α,3'β,4α,5β,19β)- [ACD/Index Name]
vinleurosine [INN]
4-27-00-09622 (Beilstein Handbook Reference)
methyl (13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1439 [DBID]
NCI60_042012 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 218.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 11.84
ACD/KOC (pH 5.5): 42.83
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1029.27
ACD/KOC (pH 7.4): 3724.51
Polar Surface Area: 146 Å2
Polarizability: 86.8±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 580.6±5.0 cm3

Click to predict properties on the Chemicalize site


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