ChemSpider 2D Image | 2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone | C9H18N5O8P

2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone

  • Molecular FormulaC9H18N5O8P
  • Average mass355.242 Da
  • Monoisotopic mass355.089294 Da
  • ChemSpider ID23107011
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-Deoxy-1-[(2,5-diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]-5-O-phosphono-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-[(2,5-diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]-5-O-phosphono-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[(2,5-diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]-5-O-phosphono-D-ribitol [French] [ACD/IUPAC Name]
2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone
D-Ribitol, 1-deoxy-1-[(2,5-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)amino]-, 5-(dihydrogen phosphate) [ACD/Index Name]
[(2R,3S,4S)-5-[(2,5-diamino-6-oxo-1H-pyrimidin-4-yl)amino]-2,3,4-trihydroxypentyl]oxyphosphonic acid
{[(2R,3S,4S)-5-[(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-2,3,4-trihydroxypentyl]oxy}phosphonic acid
1-[(5-amino-6-hydroxy-2-imino-2,3-dihydropyrimidin-4-yl)amino]-1-deoxy-5-O-phosphono-D-ribitol
1-[(5-amino-6-hydroxy-2-imino-2,3-dihydropyrimidin-4-yl)amino]-1-deoxy-5-O-phosphono-D-ribitol; 1-deoxy-1-[(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-5-O-phosphono-D-ribitol
1-deoxy-1-[(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-5-O-phosphono-D-ribitol
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  • Miscellaneous
    • Chemical Class:

      A 1-deoxy-<stereo>D</stereo>-ribitol-5-phosphate having a (5,6-diamino-4-oxopyrimidin-2-yl)amino group at the 1-position. ChEBI CHEBI:52402

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: 1.774
Molar Refractivity: 68.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.29
ACD/LogD (pH 5.5): -7.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 126.1±7.0 dyne/cm
Molar Volume: 164.6±7.0 cm3

Click to predict properties on the Chemicalize site






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