ChemSpider 2D Image | (1beta)-5,6,6',7,12-Pentamethoxy-2-methyl-1',2'-didehydroberbaman-14-ol | C38H40N2O8

(1β)-5,6,6',7,12-Pentamethoxy-2-methyl-1',2'-didehydroberbaman-14-ol

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID321826

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1β)-5,6,6',7,12-Pentamethoxy-2-methyl-1',2'-didehydroberbaman-14-ol [ACD/IUPAC Name]
(1β)-5,6,6',7,12-Pentamethoxy-2-methyl-1',2'-didehydroberbaman-14-ol [German] [ACD/IUPAC Name]
(1β)-5,6,6',7,12-Pentaméthoxy-2-méthyl-1',2'-didéhydroberbaman-14-ol [French] [ACD/IUPAC Name]
59553-87-6 [RN]
Thalibrunimine

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

NSC626649 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 783.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 427.7±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 176.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 5.24
ACD/KOC (pH 5.5): 43.41
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 132.03
ACD/KOC (pH 7.4): 1093.66
Polar Surface Area: 100 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 496.3±7.0 cm3

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