ChemSpider 2D Image | (1aR,4E,7S,7aR,10aS,10bS)-1a,5-Dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl (2E)-4-hydroxy-2-(hydroxymethyl)-2-butenoate | C20H26O7

(1aR,4E,7S,7aR,10aS,10bS)-1a,5-Dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl (2E)-4-hydroxy-2-(hydroxymethyl)-2-butenoate

  • Molecular FormulaC20H26O7
  • Average mass378.416 Da
  • Monoisotopic mass378.167847 Da
  • ChemSpider ID21531894

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1aR,4E,7S,7aR,10aS,10bS)-1a,5-Dimethyl-8-methylen-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl-(2E)-4-hydroxy-2-(hydroxymethyl)-2-butenoat [German] [ACD/IUPAC Name]
(1aR,4E,7S,7aR,10aS,10bS)-1a,5-Dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl (2E)-4-hydroxy-2-(hydroxymethyl)-2-butenoate [ACD/IUPAC Name]
(2E)-4-Hydroxy-2-(hydroxyméthyl)-2-buténoate de (1aR,4E,7S,7aR,10aS,10bS)-1a,5-diméthyl-8-méthylène-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-décahydrooxiréno[9,10]cyclodéca[1,2-b]furan-7-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (1aR,4E,7S,7aR,10aS,10bS)-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a,5-dimethyl-8-methylene-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 598.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.2±6.0 kJ/mol
Flash Point: 211.0±23.6 °C
Index of Refraction: 1.570
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.64
ACD/KOC (pH 5.5): 334.82
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.64
ACD/KOC (pH 7.4): 334.82
Polar Surface Area: 106 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 292.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement