ChemSpider 2D Image | (1beta,3beta,22xi)-Spirost-5-en-1,3-diyl diacetate | C31H46O6

(1β,3β,22ξ)-Spirost-5-en-1,3-diyl diacetate

  • Molecular FormulaC31H46O6
  • Average mass514.693 Da
  • Monoisotopic mass514.329468 Da
  • ChemSpider ID4956553

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(1β,3β,22ξ)-Spirost-5-en-1,3-diyl diacetate [ACD/IUPAC Name]
(1β,3β,22ξ)-Spirost-5-en-1,3-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (1β,3β,22ξ)-spirost-5-én-1,3-diyle [French] [ACD/IUPAC Name]
Spirost-5-en-1,3-diol, diacetate, (1β,3β,22ξ)- [ACD/Index Name]
6155-50-6 [RN]
Spirost-5-ene-1,3-diol, diacetate, (1β,3β,25R)-
SPIROST-5-ENE-1,3-DIOL,DIACETATE, (1B,3B,25R)- (9CI)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 241.2±30.2 °C
Index of Refraction: 1.549
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15026.64
ACD/KOC (pH 5.5): 33992.68
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15026.64
ACD/KOC (pH 7.4): 33992.68
Polar Surface Area: 71 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 440.2±5.0 cm3

Click to predict properties on the Chemicalize site


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