ChemSpider 2D Image | sipholenol M | C30H52O6

sipholenol M

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID24629394
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

1-Benzoxepin-3,7-diol, decahydro-2,2,5a,7-tetramethyl-6-[2-(3,4,4a,5,6,7,8,8a-octahydro-3-hydroperoxy-5-hydroxy-2,5,8,8-tetramethyl-1-naphthalenyl)ethyl]- [ACD/Index Name]
6-[2-(3-Hydroperoxy-5-hydroxy-2,5,8,8-tétraméthyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphtalényl)éthyl]-2,2,5a,7-tétraméthyldécahydro-1-benzoxépine-3,7-diol [French] [ACD/IUPAC Name]
6-[2-(3-Hydroperoxy-5-hydroxy-2,5,8,8-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)ethyl]-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol [ACD/IUPAC Name]
6-[2-(3-Hydroperoxy-5-hydroxy-2,5,8,8-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalinyl)ethyl]-2,2,5a,7-tetramethyldecahydro-1-benzoxepin-3,7-diol [German] [ACD/IUPAC Name]
sipholenol M

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 625.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 331.9±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25638.13
ACD/KOC (pH 5.5): 49827.13
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25636.22
ACD/KOC (pH 7.4): 49823.41
Polar Surface Area: 99 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 444.0±5.0 cm3

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