ChemSpider 2D Image | (1beta,3beta,8xi,9xi,16xi,17xi,20R,22S,25R)-Spirost-5-en-1,3,14-triol | C27H42O5

(1β,3β,8ξ,9ξ,16ξ,17ξ,20R,22S,25R)-Spirost-5-en-1,3,14-triol

  • Molecular FormulaC27H42O5
  • Average mass446.619 Da
  • Monoisotopic mass446.303223 Da
  • ChemSpider ID28286801

  • defined stereocentres - 8 of 12 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1β,3β,8ξ,9ξ,16ξ,17ξ,20R,22S,25R)-Spirost-5-en-1,3,14-triol [German] [ACD/IUPAC Name]
(1β,3β,8ξ,9ξ,16ξ,17ξ,20R,22S,25R)-Spirost-5-en-1,3,14-triol [ACD/IUPAC Name]
(1β,3β,8ξ,9ξ,16ξ,17ξ,20R,22S,25R)-Spirost-5-én-1,3,14-triol [French] [ACD/IUPAC Name]
Spirost-5-en-1,3,14-triol, (1β,3β,8ξ,9ξ,16ξ,17ξ,20β,22S,25R)- [ACD/Index Name]
(1b,3b,14a,20R,22S,25R)-spirost-5-ene-1,3,14-triol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 315.3±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 122.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.43
ACD/KOC (pH 5.5): 811.58
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.43
ACD/KOC (pH 7.4): 811.58
Polar Surface Area: 79 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 361.8±5.0 cm3

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