ChemSpider 2D Image | (5beta,9beta,10alpha,12alpha,14R,15beta)-14,15-Dihydroxy-7-oxoatis-16-en-18-yl acetate | C22H32O5

(5β,9β,10α,12α,14R,15β)-14,15-Dihydroxy-7-oxoatis-16-en-18-yl acetate

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID26380071

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(5β,9β,10α,12α,14R,15β)-14,15-Dihydroxy-7-oxoatis-16-en-18-yl acetate [ACD/IUPAC Name]
(5β,9β,10α,12α,14R,15β)-14,15-Dihydroxy-7-oxoatis-16-en-18-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β,9β,10α,12α,14R,15β)-14,15-dihydroxy-7-oxoatis-16-én-18-yle [French] [ACD/IUPAC Name]
Atis-16-en-7-one, 18-(acetyloxy)-14,15-dihydroxy-, (5β,9β,10α,12α,14R,15β)- [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: 518.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 176.0±23.6 °C
Index of Refraction: 1.563
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.20
ACD/KOC (pH 5.5): 1007.86
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.20
ACD/KOC (pH 7.4): 1007.86
Polar Surface Area: 84 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 308.8±5.0 cm3

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