ChemSpider 2D Image | 1-(3-Amino-2,3-dideoxy-5-O-phosphono-alpha-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione | C10H16N3O7P

1-(3-Amino-2,3-dideoxy-5-O-phosphono-α-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC10H16N3O7P
  • Average mass321.224 Da
  • Monoisotopic mass321.072571 Da
  • ChemSpider ID26329946

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(3-Amino-2,3-dideoxy-5-O-phosphono-α-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(3-Amino-2,3-didesoxy-5-O-phosphono-α-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(3-Amino-2,3-didésoxy-5-O-phosphono-α-L-érythro-pentofuranosyl)-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-5-O-phosphono-α-L-erythro-pentofuranosyl)-5-methyl- [ACD/Index Name]
Phosphoric acid mono-[3-amino-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
[(2R,3R,5R)-3-amino-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid
{[(2R,3R,5R)-3-amino-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 68.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -5.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 205.4±3.0 cm3

Click to predict properties on the Chemicalize site


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