ChemSpider 2D Image | (1S,8E)-1-{[(2S)-1-Hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}-2-propanyl]oxy}-8-heptadecen-1-ol | C35H70O5

(1S,8E)-1-{[(2S)-1-Hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}-2-propanyl]oxy}-8-heptadecen-1-ol

  • Molecular FormulaC35H70O5
  • Average mass570.927 Da
  • Monoisotopic mass570.522339 Da
  • ChemSpider ID35034970

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,8E)-1-{[(2S)-1-Hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}-2-propanyl]oxy}-8-heptadecen-1-ol [German] [ACD/IUPAC Name]
(1S,8E)-1-{[(2S)-1-Hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}-2-propanyl]oxy}-8-heptadecen-1-ol [ACD/IUPAC Name]
(1S,8E)-1-{[(2S)-1-Hydroxy-3-{[(1S)-1-hydroxypentadécyl]oxy}-2-propanyl]oxy}-8-heptadécén-1-ol [French] [ACD/IUPAC Name]
(1s,8e)-1-{[(2s)-1-Hydroxy-3-{[(1s)-1-Hydroxypentadecyl]oxy}propan-2-Yl]oxy}heptadec-8-En-1-Ol
8-Heptadecen-1-ol, 1-[(1S)-2-hydroxy-1-[[[(1S)-1-hydroxypentadecyl]oxy]methyl]ethoxy]-, (1S,8E)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.5±6.0 kJ/mol
Flash Point: 337.9±31.5 °C
Index of Refraction: 1.480
Molar Refractivity: 172.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.49
ACD/LogD (pH 5.5): 12.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 606.3±3.0 cm3

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