ChemSpider 2D Image | (3S,8R,9R,10R)-10-Methoxy-4,6-heptadecadiyne-3,8,9-triol | C18H30O4

(3S,8R,9R,10R)-10-Methoxy-4,6-heptadecadiyne-3,8,9-triol

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID24672120

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,8R,9R,10R)-10-Methoxy-4,6-heptadecadiin-3,8,9-triol [German] [ACD/IUPAC Name]
(3S,8R,9R,10R)-10-Methoxy-4,6-heptadecadiyne-3,8,9-triol [ACD/IUPAC Name]
(3S,8R,9R,10R)-10-Méthoxy-4,6-heptadécadiyne-3,8,9-triol [French] [ACD/IUPAC Name]
4,6-Heptadecadiyne-3,8,9-triol, 10-methoxy-, (3S,8R,9R,10R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 503.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 258.1±30.1 °C
Index of Refraction: 1.511
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1862.86
ACD/KOC (pH 5.5): 7627.67
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1862.74
ACD/KOC (pH 7.4): 7627.20
Polar Surface Area: 70 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 292.7±3.0 cm3

Click to predict properties on the Chemicalize site


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