ChemSpider 2D Image | 1-{2-Deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylene]-beta-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione | C17H18N3O10P

1-{2-Deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylene]-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC17H18N3O10P
  • Average mass455.313 Da
  • Monoisotopic mass455.072968 Da
  • ChemSpider ID35034852
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-{2-Deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylene]-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{2-deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylidene]-β-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
1-{2-Desoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylen]-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{2-Désoxy-3,5-O-[(4-nitrophényl)(phosphono)méthylène]-β-D-thréo-pentofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-3,5-O-[(4-nitrophenyl)phosphonomethylene]-β-D-threo-pentofuranosyl]-5-methyl- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -4.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 267.0±5.0 cm3

Click to predict properties on the Chemicalize site






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