ChemSpider 2D Image | (1R)-1,5-Anhydro-2,3-O-1,1-cyclohexanediyl-4-deoxy-4-(2-ethoxy-2-oxoethyl)-1-[(2E)-2-methyl-4-oxo-2-buten-1-yl]-D-ribitol | C20H30O6

(1R)-1,5-Anhydro-2,3-O-1,1-cyclohexanediyl-4-deoxy-4-(2-ethoxy-2-oxoethyl)-1-[(2E)-2-methyl-4-oxo-2-buten-1-yl]-D-ribitol

  • Molecular FormulaC20H30O6
  • Average mass366.449 Da
  • Monoisotopic mass366.204254 Da
  • ChemSpider ID29366382

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-2,3-O-1,1-cyclohexandiyl-4-desoxy-4-(2-ethoxy-2-oxoethyl)-1-[(2E)-2-methyl-4-oxo-2-buten-1-yl]-D-ribitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,3-O-1,1-cyclohexanediyl-4-deoxy-4-(2-ethoxy-2-oxoethyl)-1-[(2E)-2-methyl-4-oxo-2-buten-1-yl]-D-ribitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,3-O-1,1-cyclohexanediyl-4-désoxy-4-(2-éthoxy-2-oxoéthyl)-1-[(2E)-2-méthyl-4-oxo-2-butén-1-yl]-D-ribitol [French] [ACD/IUPAC Name]
D-altro-Non-2-enose, 5,9-anhydro-6,7-O-cyclohexylidene-2,3,4,8-tetradeoxy-8-(2-ethoxy-2-oxoethyl)-3-methyl-, (2E)- [ACD/Index Name]
(E)-5,9-ANHYDRO-6,7-O-CYCLOHEXYLIDENE-2,3,4,8-TETRADEOXY-8-C-(ETHOXYCARBONYL)METHYL-3-METHYL-D-ALLO-NON-2-ENAL
75452-43-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 494.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 215.1±24.6 °C
Index of Refraction: 1.518
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 176.09
ACD/KOC (pH 5.5): 1409.64
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 176.09
ACD/KOC (pH 7.4): 1409.64
Polar Surface Area: 71 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 315.5±5.0 cm3

Click to predict properties on the Chemicalize site


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