ChemSpider 2D Image | (1R,4E)-4,5-Dideoxy-1-C-[(1R)-1-hydroxyethyl]-5-[2-(hydroxymethyl)-3-methoxyphenyl]-1,2-O-(oxomethylene)-D-erythro-pent-4-enitol | C16H20O7

(1R,4E)-4,5-Dideoxy-1-C-[(1R)-1-hydroxyethyl]-5-[2-(hydroxymethyl)-3-methoxyphenyl]-1,2-O-(oxomethylene)-D-erythro-pent-4-enitol

  • Molecular FormulaC16H20O7
  • Average mass324.326 Da
  • Monoisotopic mass324.120911 Da
  • ChemSpider ID40256635

  • 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,4E)-4,5-Dideoxy-1-C-[(1R)-1-hydroxyethyl]-5-[2-(hydroxymethyl)-3-methoxyphenyl]-1,2-O-(oxomethylene)-D-erythro-pent-4-enitol [ACD/IUPAC Name]
(1R,4E)-4,5-Didesoxy-1-C-[(1R)-1-hydroxyethyl]-5-[2-(hydroxymethyl)-3-methoxyphenyl]-1,2-O-(oxomethylen)-D-erythro-pent-4-enitol [German] [ACD/IUPAC Name]
(1R,4E)-4,5-Didésoxy-1-C-[(1R)-1-hydroxyéthyl]-5-[2-(hydroxyméthyl)-3-méthoxyphényl]-1,2-O-(oxométhylène)-D-érythro-pent-4-énitol [French] [ACD/IUPAC Name]
D-manno-Hept-1-enitol, 4,5-O-carbonyl-1,2,7-trideoxy-1-[2-(hydroxymethyl)-3-methoxyphenyl]-, (1E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 228.3±23.6 °C
Index of Refraction: 1.604
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.13
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.13
Polar Surface Area: 105 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 240.2±3.0 cm3

Click to predict properties on the Chemicalize site


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