ChemSpider 2D Image | (1S)-3-Methyl(1-~2~H_1_)-2-buten-1-yl trihydrogen diphosphate | C5H11DO7P2

(1S)-3-Methyl(1-2H1)-2-buten-1-yl trihydrogen diphosphate

  • Molecular FormulaC5H11DO7P2
  • Average mass247.098 Da
  • Monoisotopic mass247.012100 Da
  • ChemSpider ID9718075

  • Non-standard isotope - Non-standard isotope

More details:

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

(1S)-3-Methyl(1-2H1)-2-buten-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(1S)-3-Methyl(1-2H1)-2-buten-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(1S)-3-methyl-2-buten-1-yl-1-d] ester [ACD/Index Name]
Trihydrogénodiphosphate de (1S)-3-méthyl(1-2H1)-2-butén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 417.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±6.0 kJ/mol
Flash Point: 206.0±26.8 °C
Index of Refraction: 1.506
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -6.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 158.0±3.0 cm3

Click to predict properties on the Chemicalize site


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