ChemSpider 2D Image | Cosmosporaside A | C21H38O6

Cosmosporaside A

  • Molecular FormulaC21H38O6
  • Average mass386.523 Da
  • Monoisotopic mass386.266846 Da
  • ChemSpider ID26609599

  • 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

3-O-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]-D-mannitol [German] [ACD/IUPAC Name]
3-O-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]-D-mannitol [ACD/IUPAC Name]
3-O-[(2E,6E)-3,7,11-Triméthyl-2,6,10-dodécatrién-1-yl]-D-mannitol [French] [ACD/IUPAC Name]
Cosmosporaside A
D-Mannitol, 3-O-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]- [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: 579.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 304.3±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.71
ACD/KOC (pH 5.5): 944.98
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.71
ACD/KOC (pH 7.4): 944.98
Polar Surface Area: 110 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 350.8±3.0 cm3

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