ChemSpider 2D Image | (2E)-4-Hydroxy-2-methyl-2-buten-1-yl trihydrogen diphosphate | C5H12O8P2

(2E)-4-Hydroxy-2-methyl-2-buten-1-yl trihydrogen diphosphate

  • Molecular FormulaC5H12O8P2
  • Average mass262.091 Da
  • Monoisotopic mass262.000732 Da
  • ChemSpider ID23324892

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-Hydroxy-2-methyl-2-buten-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E)-4-Hydroxy-2-methyl-2-buten-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
(2E)-4-hydroxy-2-methylbut-2-en-1-yl trihydrogen diphosphate
Diphosphoric acid, mono[(2E)-4-hydroxy-2-methyl-2-buten-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E)-4-hydroxy-2-méthyl-2-butén-1-yle [French] [ACD/IUPAC Name]
(2E)-1-hydroxy-3-methylbut-2-enyl-diphosphate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL270681/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 505.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 259.3±32.9 °C
Index of Refraction: 1.536
Molar Refractivity: 48.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.30
ACD/LogD (pH 5.5): -7.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 79.9±3.0 dyne/cm
Molar Volume: 155.5±3.0 cm3

Click to predict properties on the Chemicalize site


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