ChemSpider 2D Image | (5alpha,20beta,22alpha,25R)-Spirosolane | C27H45NO

(5α,20β,22α,25R)-Spirosolane

  • Molecular FormulaC27H45NO
  • Average mass399.652 Da
  • Monoisotopic mass399.350128 Da
  • ChemSpider ID28536760

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5α,20β,22α,25R)-Spirosolan [German] [ACD/IUPAC Name]
(5α,20β,22α,25R)-Spirosolane [ACD/IUPAC Name]
(5α,20β,22α,25R)-Spirosolane [French] [ACD/IUPAC Name]
Spirosolane, (5α,20β,22α,25R)- [ACD/Index Name]
(2aR,5'R,6aS,6bS,8aS,8bR,9R,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyloctadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidine]
[126-17-0] [RN]
126-17-0 [RN]
MFCD00037844 [MDL number]
Spirosol-5-en-3-ol, (3β,22α,25R)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 494.0±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 223.7±13.5 °C
Index of Refraction: 1.548
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 451.48
ACD/KOC (pH 5.5): 423.25
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 14469.08
ACD/KOC (pH 7.4): 13564.40
Polar Surface Area: 21 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 377.9±5.0 cm3

Click to predict properties on the Chemicalize site


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