ChemSpider 2D Image | (3beta,9beta,12alpha,16R)-Solanid-5-ene-3,12-diol | C27H43NO2

(3β,9β,12α,16R)-Solanid-5-ene-3,12-diol

  • Molecular FormulaC27H43NO2
  • Average mass413.636 Da
  • Monoisotopic mass413.329376 Da
  • ChemSpider ID25995554
  • defined stereocentres - 11 of 12 defined stereocentres


More details:






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

(3β,9β,12α,16R)-Solanid-5-en-3,12-diol [German] [ACD/IUPAC Name]
(3β,9β,12α,16R)-Solanid-5-ene-3,12-diol [ACD/IUPAC Name]
(3β,9β,12α,16R)-Solanid-5-ène-3,12-diol [French] [ACD/IUPAC Name]
Solanid-5-ene-3,12-diol, (3β,9β,12α,16R)- [ACD/Index Name]
Rubijervine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 537.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 251.5±28.8 °C
Index of Refraction: 1.590
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 2.77
ACD/KOC (pH 5.5): 9.50
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 10.76
Polar Surface Area: 44 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 359.3±5.0 cm3

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