ChemSpider 2D Image | (7Z,9S,12R)-9,12-Dihydroxy-7-hexadecen-10-ynoic acid | C16H26O4

(7Z,9S,12R)-9,12-Dihydroxy-7-hexadecen-10-ynoic acid

  • Molecular FormulaC16H26O4
  • Average mass282.375 Da
  • Monoisotopic mass282.183105 Da
  • ChemSpider ID78441044

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7Z,9S,12R)-9,12-Dihydroxy-7-hexadecen-10-insäure [German] [ACD/IUPAC Name]
(7Z,9S,12R)-9,12-Dihydroxy-7-hexadecen-10-ynoic acid [ACD/IUPAC Name]
7-Hexadecen-10-ynoic acid, 9,12-dihydroxy-, (7Z,9S,12R)- [ACD/Index Name]
Acide (7Z,9S,12R)-9,12-dihydroxy-7-hexadécén-10-ynoïque [French] [ACD/IUPAC Name]
Gallicynoic acid C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 467.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 250.6±25.2 °C
Index of Refraction: 1.518
Molar Refractivity: 78.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 5.67
ACD/KOC (pH 5.5): 70.80
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 78 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 260.0±3.0 cm3

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