ChemSpider 2D Image | (1alpha,3alpha,25R)-Spirosta-5,7-dien-1,3-diyl diacetate | C31H44O6

(1α,3α,25R)-Spirosta-5,7-dien-1,3-diyl diacetate

  • Molecular FormulaC31H44O6
  • Average mass512.677 Da
  • Monoisotopic mass512.313782 Da
  • ChemSpider ID9960257

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1α,3α,25R)-Spirosta-5,7-dien-1,3-diyl diacetate [ACD/IUPAC Name]
(1α,3α,25R)-Spirosta-5,7-dien-1,3-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (1α,3α,25R)-spirosta-5,7-dién-1,3-diyle [French] [ACD/IUPAC Name]
Spirosta-5,7-dien-1,3-diol, diacetate, (1α,3α,25R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 247.4±30.2 °C
Index of Refraction: 1.559
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9463.28
ACD/KOC (pH 5.5): 24414.09
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9463.28
ACD/KOC (pH 7.4): 24414.09
Polar Surface Area: 71 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 432.7±5.0 cm3

Click to predict properties on the Chemicalize site


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