ChemSpider 2D Image | Velban | C46H58N4O9


  • Molecular FormulaC46H58N4O9
  • Average mass810.974 Da
  • Monoisotopic mass810.420349 Da
  • ChemSpider ID211446
  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2'β)-Vincaleukoblastin [German] [ACD/IUPAC Name]
(2'β)-Vincaleukoblastine [ACD/IUPAC Name]
(2'β)-Vincaleukoblastine [French] [ACD/IUPAC Name]
143-67-9 [RN]
212-734-0 [EINECS]
Exal [Trade name]
Velban [Trade name] [Wiki]
Vinblastine [INN] [Wiki]

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

AIDS002673 [DBID]
AIDS-002673 [DBID]
C07201 [DBID]
CHEBI:27375 [DBID]
NCI60_004200 [DBID]
NSC49842 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Toxicity:

      Organic Compound; Amine; Ether; Ester; Drug; Antineoplastic Agent, Phytogenic; Tubulin Modulator; Metabolite; Synthetic Compound Toxin, Toxin-Target Database T3D4017
    • Safety:

      L01CA01 Wikidata Q282629
    • Compound Source:

      Alkaloid from Vinca rosea Zerenex Molecular [ZBioX-0104]
    • Bio Activity:

      Antineoplastic agent; Zerenex Molecular [ZBioX-0104]

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