ChemSpider 2D Image | 4-Amino-1-{3-O-[(4-methylphenyl)sulfonyl]-alpha-D-xylofuranosyl}-5-nitro-2(1H)-pyrimidinone | C16H18N4O9S

4-Amino-1-{3-O-[(4-methylphenyl)sulfonyl]-α-D-xylofuranosyl}-5-nitro-2(1H)-pyrimidinone

  • Molecular FormulaC16H18N4O9S
  • Average mass442.401 Da
  • Monoisotopic mass442.079437 Da
  • ChemSpider ID62420635

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 3,4-dihydro-4-imino-1-[3-O-[(4-methylphenyl)sulfonyl]-α-D-xylofuranosyl]-5-nitro- [ACD/Index Name]
2(1H)-Pyrimidinone, 4-amino-1-[3-O-[(4-methylphenyl)sulfonyl]-α-D-xylofuranosyl]-5-nitro- [ACD/Index Name]
4-Amino-1-{3-O-[(4-methylphenyl)sulfonyl]-α-D-xylofuranosyl}-5-nitro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{3-O-[(4-methylphenyl)sulfonyl]-α-D-xylofuranosyl}-5-nitro-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{3-O-[(4-méthylphényl)sulfonyl]-α-D-xylofuranosyl}-5-nitro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Imino-1-{3-O-[(4-methylphenyl)sulfonyl]-α-D-xylofuranosyl}-5-nitro-3,4-dihydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Imino-1-{3-O-[(4-methylphenyl)sulfonyl]-α-D-xylofuranosyl}-5-nitro-3,4-dihydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Imino-1-{3-O-[(4-méthylphényl)sulfonyl]-α-D-xylofuranosyl}-5-nitro-3,4-dihydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.728
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.76
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.03
Polar Surface Area: 203 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 82.8±7.0 dyne/cm
Molar Volume: 246.3±7.0 cm3

Click to predict properties on the Chemicalize site


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