ChemSpider 2D Image | (4-{[(E)-1,3-Benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate | C15H15N4O5PS

(4-{[(E)-1,3-Benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate

  • Molecular FormulaC15H15N4O5PS
  • Average mass394.342 Da
  • Monoisotopic mass394.050079 Da
  • ChemSpider ID35034783

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-{[(E)-1,3-Benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate [ACD/IUPAC Name]
(4-{[(E)-1,3-Benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methyl-3-pyridinyl)methyldihydrogenphosphat [German] [ACD/IUPAC Name]
(4-{[(E)-1,3-Benzothiazol-2-Yldiazenyl]methyl}-5-Hydroxy-6-Methylpyridin-3-Yl)methyl Dihydrogen Phosphate
3-Pyridinemethanol, 4-[[(E)-2-(2-benzothiazolyl)diazenyl]methyl]-5-hydroxy-6-methyl-, α-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de (4-{[(E)-1,3-benzothiazol-2-yldiazényl]méthyl}-5-hydroxy-6-méthyl-3-pyridinyl)méthyle [French] [ACD/IUPAC Name]
2B1

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

Density: 1.7±0.1 g/cm3
Boiling Point: 717.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.4±35.7 °C
Index of Refraction: 1.739
Molar Refractivity: 95.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 77.9±7.0 dyne/cm
Molar Volume: 237.0±7.0 cm3

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