ChemSpider 2D Image | APLYSINOPLIDE B | C25H38O5

APLYSINOPLIDE B

  • Molecular FormulaC25H38O5
  • Average mass418.566 Da
  • Monoisotopic mass418.271912 Da
  • ChemSpider ID24720097

  • Double-bond stereo - Double-bond stereo

More details:

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

2(5H)-Furanone, 5-hydroxy-4-[(3E,7E)-1-hydroxy-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,7-decadien-1-yl]- [ACD/Index Name]
5-Hydroxy-4-[(3E,7E)-1-hydroxy-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-2(5H)-furanon [German] [ACD/IUPAC Name]
5-Hydroxy-4-[(3E,7E)-1-hydroxy-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-2(5H)-furanone [ACD/IUPAC Name]
5-Hydroxy-4-[(3E,7E)-1-hydroxy-4-(hydroxyméthyl)-8-méthyl-10-(2,6,6-triméthyl-1-cyclohexén-1-yl)-3,7-décadién-1-yl]-2(5H)-furanone [French] [ACD/IUPAC Name]
APLYSINOPLIDE B
1038397-17-9 [RN]
5-hydroxy-4-[(3E,7E)-1-hydroxy-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]furan-2(5H)-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 628.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 208.5±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2697.25
ACD/KOC (pH 5.5): 9941.29
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2687.45
ACD/KOC (pH 7.4): 9905.19
Polar Surface Area: 87 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 377.2±3.0 cm3

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