ChemSpider 2D Image | (2-Amino-4-oxo-6,7-disulfanyl-1,5a,8,9a,10,10a-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methyl dihydrogen phosphate | C10H14N5O6PS2

(2-Amino-4-oxo-6,7-disulfanyl-1,5a,8,9a,10,10a-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methyl dihydrogen phosphate

  • Molecular FormulaC10H14N5O6PS2
  • Average mass395.352 Da
  • Monoisotopic mass395.012299 Da
  • ChemSpider ID95641743

More details:

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

(2-Amino-4-oxo-6,7-disulfanyl-1,5a,8,9a,10,10a-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methyl dihydrogen phosphate [ACD/IUPAC Name]
(2-Amino-4-oxo-6,7-disulfanyl-1,5a,8,9a,10,10a-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl)methyldihydrogenphosphat [German] [ACD/IUPAC Name]
4H-Pyrano[3,2-g]pteridin-4-one, 2-amino-1,5a,8,9a,10,10a-hexahydro-6,7-dimercapto-8-[(phosphonooxy)methyl]- [ACD/Index Name]
Dihydrogénophosphate de (2-amino-4-oxo-6,7-disulfanyl-1,5a,8,9a,10,10a-hexahydro-4H-pyrano[3,2-g]ptéridin-8-yl)méthyle [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 701.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 378.0±35.7 °C
Index of Refraction: 2.018
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 130.6±7.0 dyne/cm
Molar Volume: 163.6±7.0 cm3

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