ChemSpider 2D Image | omega-hydroxyphylloquinone | C31H46O3

ω-hydroxyphylloquinone

  • Molecular FormulaC31H46O3
  • Average mass466.695 Da
  • Monoisotopic mass466.344696 Da
  • ChemSpider ID31150515

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1,4-Naphthalenedione, 2-[(2E,7R,11S)-16-hydroxy-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-3-methyl- [ACD/Index Name]
2-[(2E,7R,11S)-16-Hydroxy-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-3-methyl-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-[(2E,7R,11S)-16-Hydroxy-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-3-methyl-1,4-naphthoquinone [ACD/IUPAC Name]
2-[(2E,7R,11S)-16-Hydroxy-3,7,11,15-tétraméthyl-2-hexadécén-1-yl]-3-méthyl-1,4-naphtoquinone [French] [ACD/IUPAC Name]
ω-hydroxyphylloquinone
2-[(2E,7R,11S)-16-hydroxy-3,7,11,15-tetramethylhexadec-2-en-1-yl]-3-methyl-1,4-naphthoquinone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 580.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 318.8±26.6 °C
Index of Refraction: 1.521
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 10.25
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 656535.00
ACD/KOC (pH 5.5): 507649.00
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 656535.00
ACD/KOC (pH 7.4): 507649.00
Polar Surface Area: 54 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 465.3±3.0 cm3

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