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

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

  • Molecular FormulaC5H11DO7P2
  • Average mass247.098 Da
  • Monoisotopic mass247.012100 Da
  • ChemSpider ID9790476

  • Non-standard isotope - Non-standard isotope

More details:

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

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

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

Density: 1.5±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: 1.496
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.01
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): -7.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 159.5±3.0 cm3

Click to predict properties on the Chemicalize site


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