Found 1 result

Search term: InChIKey=TYPPXSBSSBTYPX-JXOAFFINSA-L (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone | C10H15N2O8PS

5-Methyl-1-(5-O-phosphono-β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

  • Molecular FormulaC10H15N2O8PS
  • Average mass354.273 Da
  • Monoisotopic mass354.028656 Da
  • ChemSpider ID57541237

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-1-(5-O-phosphono-β-D-ribofuranosyl)-2-thioxo- [ACD/Index Name]
5-Methyl-1-(5-O-phosphono-β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
5-Methyl-1-(5-O-phosphono-β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone [ACD/IUPAC Name]
5-Méthyl-1-(5-O-phosphono-β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
((2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-methyl-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
5-Methyl-1-(5-O-phosphono-β-D-ribofuranosyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
61152-81-6 [RN]

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: 1.688
Molar Refractivity: 75.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -5.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 107.9±5.0 dyne/cm
Molar Volume: 196.6±5.0 cm3

Click to predict properties on the Chemicalize site


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