ChemSpider 2D Image | (3beta,12beta,14xi,17xi,25R)-Spirost-5-en-3,12-diol | C27H42O4

(3β,12β,14ξ,17ξ,25R)-Spirost-5-en-3,12-diol

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID127384103

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(3β,12β,14ξ,17ξ,25R)-Spirost-5-en-3,12-diol [German] [ACD/IUPAC Name]
(3β,12β,14ξ,17ξ,25R)-Spirost-5-en-3,12-diol [ACD/IUPAC Name]
(3β,12β,14ξ,17ξ,25R)-Spirost-5-én-3,12-diol [French] [ACD/IUPAC Name]
Spirost-5-en-3,12-diol, (3β,12β,14ξ,17ξ,25R)- [ACD/Index Name]
(1R,4S,5'R,6R,7S,9S,10R,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10,16-diol
Compound STOCK1N-52585

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 293.5±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 680.28
ACD/KOC (pH 5.5): 3708.87
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 680.28
ACD/KOC (pH 7.4): 3708.87
Polar Surface Area: 59 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 364.8±5.0 cm3

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