ChemSpider 2D Image | 1-O-Benzyl-4,5-dideoxy-2-C-methyl-D-(4,4-~2~H_2_)-erythro-pentitol | C13H18D2O3

1-O-Benzyl-4,5-dideoxy-2-C-methyl-D-(4,4-2H2)-erythro-pentitol

  • Molecular FormulaC13H18D2O3
  • Average mass226.308 Da
  • Monoisotopic mass226.153793 Da
  • ChemSpider ID10005770

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-O-Benzyl-4,5-dideoxy-2-C-methyl-D-(4,4-2H2)-erythro-pentitol [ACD/IUPAC Name]
1-O-Benzyl-4,5-didesoxy-2-C-methyl-D-(4,4-2H2)-erythro-pentitol [German] [ACD/IUPAC Name]
1-O-Benzyl-4,5-didésoxy-2-C-méthyl-D-(4,4-2H2)-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol-4,4-d2, 4,5-dideoxy-2-C-methyl-1-O-(phenylmethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 376.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 181.4±23.7 °C
Index of Refraction: 1.529
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.49
ACD/KOC (pH 5.5): 333.34
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.49
ACD/KOC (pH 7.4): 333.34
Polar Surface Area: 50 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 206.6±3.0 cm3

Click to predict properties on the Chemicalize site


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