ChemSpider 2D Image | Diaporthein B | C20H28O6

Diaporthein B

  • Molecular FormulaC20H28O6
  • Average mass364.433 Da
  • Monoisotopic mass364.188599 Da
  • ChemSpider ID23076661

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(11α,13α)-5,6,9,11-Tetrahydroxy-6,20-epoxypimara-8(14),15-dien-7-on [German] [ACD/IUPAC Name]
(11α,13α)-5,6,9,11-Tetrahydroxy-6,20-epoxypimara-8(14),15-dien-7-one [ACD/IUPAC Name]
(11α,13α)-5,6,9,11-Tétrahydroxy-6,20-époxypimara-8(14),15-dién-7-one [French] [ACD/IUPAC Name]
9H-10,4a-(Epoxymethano)phenanthren-9-one, 7-ethenyl-1,2,3,4,4b,5,6,7,10,10a-decahydro-4b,5,10,10a-tetrahydroxy-1,1,7-trimethyl-, (4aS,4bS,5R,7R,10aR)- [ACD/Index Name]
Diaporthein B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 540.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 189.7±23.6 °C
Index of Refraction: 1.623
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.44
ACD/KOC (pH 5.5): 671.10
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.12
ACD/KOC (pH 7.4): 667.67
Polar Surface Area: 107 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 266.4±5.0 cm3

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