ChemSpider 2D Image | [[[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl hydrogen phosphate | C16H20N2O17P4

[[[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl hydrogen phosphate

  • Molecular FormulaC16H20N2O17P4
  • Average mass636.228 Da
  • Monoisotopic mass635.971252 Da
  • ChemSpider ID2340264

More details:






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

(Bispl)P4
118446-89-2 [RN]
bispyridoxal tetraphosphate
BISPYRIDOXAL TETRAPHOSPHONATE
Tetraphosphoric acid, P,P'''-bis((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl) ester
Tetraphosphoric acid,P,P'''-bis[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl] ester (9CI)

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

Density: 1.9±0.1 g/cm3
Boiling Point: 949.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 528.3±37.1 °C
Index of Refraction: 1.660
Molar Refractivity: 125.8±0.3 cm3
#H bond acceptors: 19
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.67
ACD/LogD (pH 5.5): -10.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 106.3±3.0 dyne/cm
Molar Volume: 340.6±3.0 cm3

Click to predict properties on the Chemicalize site






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