ChemSpider 2D Image | petrosiol D | C26H44O4

petrosiol D

  • Molecular FormulaC26H44O4
  • Average mass420.625 Da
  • Monoisotopic mass420.323975 Da
  • ChemSpider ID29216356

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(6R,7R,8S,16Z)-16-Hexacosen-2,4-diin-1,6,7,8-tetrol [German] [ACD/IUPAC Name]
(6R,7R,8S,16Z)-16-Hexacosene-2,4-diyne-1,6,7,8-tetrol [ACD/IUPAC Name]
(6R,7R,8S,16Z)-16-Hexacosène-2,4-diyne-1,6,7,8-tétrol [French] [ACD/IUPAC Name]
16-Hexacosene-2,4-diyne-1,6,7,8-tetrol, (6R,7R,8S,16Z)- [ACD/Index Name]
petrosiol D

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

Density: 1.0±0.1 g/cm3
Boiling Point: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.6±6.0 kJ/mol
Flash Point: 259.7±26.1 °C
Index of Refraction: 1.521
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 394100.78
ACD/KOC (pH 5.5): 352296.53
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 394079.13
ACD/KOC (pH 7.4): 352277.19
Polar Surface Area: 81 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 409.1±3.0 cm3

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