ChemSpider 2D Image | [(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate | C9H15N4O9P

[(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate

  • Molecular FormulaC9H15N4O9P
  • Average mass354.211 Da
  • Monoisotopic mass354.057678 Da
  • ChemSpider ID25057439

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S,4R,5E)-5-[(5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)imino]-2,3,4-trihydroxypentyl dihydrogen phosphate [ACD/IUPAC Name]
(2R,3S,4R,5E)-5-[(5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)imino]-2,3,4-trihydroxypentyldihydrogenphosphat [German] [ACD/IUPAC Name]
[(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Dihydrogénophosphate de (2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)imino]-2,3,4-trihydroxypentyle [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.755
Molar Refractivity: 67.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.43
ACD/LogD (pH 5.5): -7.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 123.3±7.0 dyne/cm
Molar Volume: 165.2±7.0 cm3

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