ChemSpider 2D Image | 4-Bromo-3-hydroxy-3-methylbutyl trihydrogen diphosphate | C5H13BrO8P2

4-Bromo-3-hydroxy-3-methylbutyl trihydrogen diphosphate

  • Molecular FormulaC5H13BrO8P2
  • Average mass343.003 Da
  • Monoisotopic mass341.926880 Da
  • ChemSpider ID24681854

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Brom-3-hydroxy-3-methylbutyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
4-Bromo-3-hydroxy-3-methylbutyl trihydrogen diphosphate [ACD/IUPAC Name]
Diphosphoric acid, mono(4-bromo-3-hydroxy-3-methylbutyl) ester [ACD/Index Name]
Trihydrogénodiphosphate de 4-bromo-3-hydroxy-3-méthylbutyle [French] [ACD/IUPAC Name]
(S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE
phosphostim

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

Density: 2.0±0.1 g/cm3
Boiling Point: 555.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 290.0±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -6.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 82.7±3.0 dyne/cm
Molar Volume: 175.3±3.0 cm3

Click to predict properties on the Chemicalize site


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