Found 1 result

Search term: 29814873 (Found by CSID)
ChemSpider 2D Image | (2beta,3beta,9xi,17xi,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one | C28H46O6

(2β,3β,9ξ,17ξ,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one

  • Molecular FormulaC28H46O6
  • Average mass478.661 Da
  • Monoisotopic mass478.329437 Da
  • ChemSpider ID29814873

  • defined stereocentres - 8 of 11 defined stereocentres

More details:

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

(2β,3β,9ξ,17ξ,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,9ξ,17ξ,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one [ACD/IUPAC Name]
(2β,3β,9ξ,17ξ,22R)-2,3,14,20,22-Pentahydroxyergost-7-én-6-one [French] [ACD/IUPAC Name]
Ergost-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2β,3β,9ξ,17ξ,22R)- [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: 644.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±6.0 kJ/mol
Flash Point: 357.8±28.0 °C
Index of Refraction: 1.577
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.49
ACD/KOC (pH 5.5): 373.08
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.49
ACD/KOC (pH 7.4): 373.08
Polar Surface Area: 118 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 394.9±5.0 cm3

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