ChemSpider 2D Image | (2beta,3beta,5alpha,6E,9beta,13alpha,20S,22R)-6-(Hydroxyimino)cholesta-7,14-diene-2,3,20,22,25-pentol | C27H43NO6

(2β,3β,5α,6E,9β,13α,20S,22R)-6-(Hydroxyimino)cholesta-7,14-diene-2,3,20,22,25-pentol

  • Molecular FormulaC27H43NO6
  • Average mass477.633 Da
  • Monoisotopic mass477.309052 Da
  • ChemSpider ID62490682

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,3β,5α,6E,9β,10α,13α,20S,22R)-6-(Hydroxyimino)cholesta-7,14-dien-2,3,20,22,25-pentol [German] [ACD/IUPAC Name]
(2α,3β,5α,6E,9β,10α,13α,20S,22R)-6-(Hydroxyimino)cholesta-7,14-diene-2,3,20,22,25-pentol [ACD/IUPAC Name]
(2α,3β,5α,6E,9β,10α,13α,20S,22R)-6-(Hydroxyimino)cholesta-7,14-diène-2,3,20,22,25-pentol [French] [ACD/IUPAC Name]
(2β,3β,5α,6E,9β,13α,20S,22R)-6-(Hydroxyimino)cholesta-7,14-dien-2,3,20,22,25-pentol [German] [ACD/IUPAC Name]
(2β,3β,5α,6E,9β,13α,20S,22R)-6-(Hydroxyimino)cholesta-7,14-diene-2,3,20,22,25-pentol [ACD/IUPAC Name]
(2β,3β,5α,6E,9β,13α,20S,22R)-6-(Hydroxyimino)cholesta-7,14-diène-2,3,20,22,25-pentol [French] [ACD/IUPAC Name]
Cholesta-7,14-dien-6-one, 2,3,20,22,25-pentahydroxy-, oxime, (2α,3β,5α,6E,9β,10α,13α,20S,22R)- [ACD/Index Name]
Cholesta-7,14-dien-6-one, 2,3,20,22,25-pentahydroxy-, oxime, (2β,3β,5α,6E,9β,13α,20S,22R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 494.2±22.1 °C
Index of Refraction: 1.622
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.45
ACD/KOC (pH 5.5): 291.26
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.45
ACD/KOC (pH 7.4): 291.18
Polar Surface Area: 134 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 358.2±7.0 cm3

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