ChemSpider 2D Image | d-berbamine | C37H40N2O6

d-berbamine

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID242126
  • defined stereocentres - 2 of 2 defined stereocentres


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Featured data source



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

(+)-berbamine
207-523-5 [EINECS]
2-27-00-00891 [Beilstein]
478-61-5 [RN]
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]
Berbaman-12-ol, 6,6',7-trimethoxy-2,2'-dimethyl-
d-berbamine
(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaen-9-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

V5KM4XJ0WM [DBID]
BRN 0078902 [DBID]
C09357 [DBID]
CCRIS 6538 [DBID]
NCGC00017375-01 [DBID]
NCI60_003398 [DBID]
NSC 121842 [DBID]
NSC121842 [DBID]
TNP00325 [DBID]
UNII:V5KM4XJ0WM [DBID]
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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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