ChemSpider 2D Image | berbamine | C37H40N2O6

berbamine

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID9764

More details:






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

6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol [ACD/IUPAC Name]
6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol [German] [ACD/IUPAC Name]
6,6',7-Triméthoxy-2,2'-diméthylberbaman-12-ol [French] [ACD/IUPAC Name]
berbamine
Berbamine-12-ol, 6,6', 7-trimethoxy-2,2'-dimethyl
[478-61-5]
2-27-00-00891 [Beilstein]
6078-17-7 [RN]
Berbaman-12-ol, 6,6',7-trimethoxy-2,2'-dimethyl- (9CI)
Berbamine Hydrochloride
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 0078902 [DBID]
CCRIS 6538 [DBID]
NCI60_000125 [DBID]
NSC 121842 [DBID]
NSC105131 [DBID]
V5KM4XJ0WM [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.31
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 520.83
ACD/KOC (pH 7.4): 2004.19
Polar Surface Area: 73 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 505.6±3.0 cm3

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