ChemSpider 2D Image | 1-Deoxy-1-[(2,5-diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pent-2-ulose | C9H18N5O14P3

1-Deoxy-1-[(2,5-diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pent-2-ulose

  • Molecular FormulaC9H18N5O14P3
  • Average mass513.186 Da
  • Monoisotopic mass513.006287 Da
  • ChemSpider ID389753

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-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pent-2-ulose [ACD/IUPAC Name]
1-Desoxy-1-[(2,5-diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pent-2-ulose [German] [ACD/IUPAC Name]
1-Désoxy-1-[(2,5-diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pent-2-ulose [French] [ACD/IUPAC Name]
2-Pentulose, 1-deoxy-1-[(2,5-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)amino]-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
[({[({5-[(2,5-diamino-6-oxo-3,6-dihydropyrimidin-4-yl)amino]-2,3-dihydroxy-4-oxopentyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
[({5-[(2,5-diamino-6-oxo-3H-pyrimidin-4-yl)amino]-2,3-dihydroxy-4-oxopentyl}oxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxyphosphonic acid
2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine

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

C06148 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.799
Molar Refractivity: 88.6±0.5 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -5.22
ACD/LogD (pH 5.5): -11.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 352 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 177.8±7.0 dyne/cm
Molar Volume: 207.4±7.0 cm3

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