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Search term: 24846835 (Found by CSID)
ChemSpider 2D Image | 4-Methyl-5-{(2E)-3-methyl-5-[(1R,2R,4S,5S,6R,8aS)-2,4,6-trihydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydro-1-naphthalenyl]-2-penten-1-yl}-2(5H)-furanone | C25H40O6

4-Methyl-5-{(2E)-3-methyl-5-[(1R,2R,4S,5S,6R,8aS)-2,4,6-trihydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydro-1-naphthalenyl]-2-penten-1-yl}-2(5H)-furanone

  • Molecular FormulaC25H40O6
  • Average mass436.582 Da
  • Monoisotopic mass436.282501 Da
  • ChemSpider ID24846835

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

2(5H)-Furanone, 5-[(2E)-5-[(1R,2R,4S,5S,6R,8aS)-decahydro-2,4,6-trihydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-1-naphthalenyl]-3-methyl-2-penten-1-yl]-4-methyl- [ACD/Index Name]
4-Méthyl-5-{(2E)-3-méthyl-5-[(1R,2R,4S,5S,6R,8aS)-2,4,6-trihydroxy-5-(hydroxyméthyl)-2,5,8a-triméthyldécahydro-1-naphtalényl]-2-pentén-1-yl}-2(5H)-furanone [French] [ACD/IUPAC Name]
4-Methyl-5-{(2E)-3-methyl-5-[(1R,2R,4S,5S,6R,8aS)-2,4,6-trihydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydro-1-naphthalenyl]-2-penten-1-yl}-2(5H)-furanone [ACD/IUPAC Name]
4-Methyl-5-{(2E)-3-methyl-5-[(1R,2R,4S,5S,6R,8aS)-2,4,6-trihydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydro-1-naphthalinyl]-2-penten-1-yl}-2(5H)-furanon [German] [ACD/IUPAC Name]
(-)-Salvisyriacolide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 204.3±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 119.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.12
ACD/KOC (pH 5.5): 660.94
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.12
ACD/KOC (pH 7.4): 660.94
Polar Surface Area: 107 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 380.1±3.0 cm3

Click to predict properties on the Chemicalize site


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