ChemSpider 2D Image | aplysinoplide C | C25H40O5

aplysinoplide C

  • Molecular FormulaC25H40O5
  • Average mass420.582 Da
  • Monoisotopic mass420.287567 Da
  • ChemSpider ID28532928

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2(5H)-Furanone, 4-(hydroxymethyl)-5-[(2Z,6E)-3-(hydroxymethyl)-9-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-7-methyl-2,6-nonadien-1-yl]- [ACD/Index Name]
4-(Hydroxymethyl)-5-{(2Z,6E)-3-(hydroxymethyl)-9-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-7-methyl-2,6-nonadien-1-yl}-2(5H)-furanon [German] [ACD/IUPAC Name]
4-(Hydroxymethyl)-5-{(2Z,6E)-3-(hydroxymethyl)-9-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-7-methyl-2,6-nonadien-1-yl}-2(5H)-furanone [ACD/IUPAC Name]
4-(Hydroxyméthyl)-5-{(2Z,6E)-3-(hydroxyméthyl)-9-[(1S,2S)-2-hydroxy-2,6,6-triméthylcyclohexyl]-7-méthyl-2,6-nonadién-1-yl}-2(5H)-furanone [French] [ACD/IUPAC Name]
aplysinoplide C
4-(hydroxymethyl)-5-{(2Z,6E)-3-(hydroxymethyl)-9-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-7-methylnona-2,6-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: 607.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.5±6.0 kJ/mol
Flash Point: 199.4±23.6 °C
Index of Refraction: 1.521
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1588.81
ACD/KOC (pH 5.5): 6806.53
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1588.81
ACD/KOC (pH 7.4): 6806.53
Polar Surface Area: 87 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 392.9±3.0 cm3

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