ChemSpider 2D Image | (3E,5S,6R,8R,14S)-5,6,8-Trihydroxy-14-pentyloxacyclotetradec-3-en-2-one | C18H32O5

(3E,5S,6R,8R,14S)-5,6,8-Trihydroxy-14-pentyloxacyclotetradec-3-en-2-one

  • Molecular FormulaC18H32O5
  • Average mass328.444 Da
  • Monoisotopic mass328.224976 Da
  • ChemSpider ID29400927

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3E,5S,6R,8R,14S)-5,6,8-Trihydroxy-14-pentyloxacyclotetradec-3-en-2-on [German] [ACD/IUPAC Name]
(3E,5S,6R,8R,14S)-5,6,8-Trihydroxy-14-pentyloxacyclotetradec-3-en-2-one [ACD/IUPAC Name]
(3E,5S,6R,8R,14S)-5,6,8-Trihydroxy-14-pentyloxacyclotétradéc-3-én-2-one [French] [ACD/IUPAC Name]
Oxacyclotetradec-3-en-2-one, 5,6,8-trihydroxy-14-pentyl-, (3E,5S,6R,8R,14S)- [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: 525.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 183.1±23.6 °C
Index of Refraction: 1.493
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.00
ACD/KOC (pH 5.5): 786.97
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.00
ACD/KOC (pH 7.4): 786.97
Polar Surface Area: 87 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 307.2±3.0 cm3

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