ChemSpider 2D Image | cytosporin D | C19H30O5

cytosporin D

  • Molecular FormulaC19H30O5
  • Average mass338.439 Da
  • Monoisotopic mass338.209320 Da
  • ChemSpider ID27023788

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1aS,2R,4aS,7S,8aR)-3-[(1E)-1-Hepten-1-yl]-4-(hydroxymethyl)-6,6-dimethyl-2,4a,7,8-tetrahydro-1aH,6H-oxireno[e]chromen-2,7-diol [German] [ACD/IUPAC Name]
(1aS,2R,4aS,7S,8aR)-3-[(1E)-1-Hepten-1-yl]-4-(hydroxymethyl)-6,6-dimethyl-2,4a,7,8-tetrahydro-1aH,6H-oxireno[e]chromene-2,7-diol [ACD/IUPAC Name]
(1aS,2R,4aS,7S,8aR)-3-[(1E)-1-Heptén-1-yl]-4-(hydroxyméthyl)-6,6-diméthyl-2,4a,7,8-tétrahydro-1aH,6H-oxiréno[e]chromène-2,7-diol [French] [ACD/IUPAC Name]
1aH,6H-Oxireno[e][1]benzopyran-2,7-diol, 3-[(1E)-1-hepten-1-yl]-2,4a,7,8-tetrahydro-4-(hydroxymethyl)-6,6-dimethyl-, (1aS,2R,4aS,7S,8aR)- [ACD/Index Name]
cytosporin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 277.7±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.46
ACD/KOC (pH 5.5): 2245.46
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.46
ACD/KOC (pH 7.4): 2245.45
Polar Surface Area: 82 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 278.9±5.0 cm3

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