ChemSpider 2D Image | (3E)-4-(2-Amino-4-oxo-3,4,5,8-tetrahydro-6-pteridinyl)-2-hydroxy-3,4-disulfanyl-3-buten-1-yl dihydrogen phosphate | C10H14N5O6PS2

(3E)-4-(2-Amino-4-oxo-3,4,5,8-tetrahydro-6-pteridinyl)-2-hydroxy-3,4-disulfanyl-3-buten-1-yl dihydrogen phosphate

  • Molecular FormulaC10H14N5O6PS2
  • Average mass395.352 Da
  • Monoisotopic mass395.012299 Da
  • ChemSpider ID78435406

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-(2-Amino-4-oxo-3,4,5,8-tetrahydro-6-pteridinyl)-2-hydroxy-3,4-disulfanyl-3-buten-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(3E)-4-(2-Amino-4-oxo-3,4,5,8-tetrahydro-6-pteridinyl)-2-hydroxy-3,4-disulfanyl-3-buten-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
4(3H)-Pteridinone, 2-amino-5,8-dihydro-6-[(1E)-3-hydroxy-1,2-dimercapto-4-(phosphonooxy)-1-buten-1-yl]- [ACD/Index Name]
Dihydrogénophosphate de (3E)-4-(2-amino-4-oxo-3,4,5,8-tétrahydro-6-ptéridinyl)-2-hydroxy-3,4-disulfanyl-3-butén-1-yle [French] [ACD/IUPAC Name]
molybdopterin [Wiki]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.896
Molar Refractivity: 84.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.55
ACD/LogD (pH 5.5): -5.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 111.5±7.0 dyne/cm
Molar Volume: 182.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement