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Search term: InChIKey=DXTALIXGVSVUOM-VPCXQMTMSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 5-(2-Amino-2-oxoethyl)-1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone | C11H15N3O6S

5-(2-Amino-2-oxoethyl)-1-(β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

  • Molecular FormulaC11H15N3O6S
  • Average mass317.318 Da
  • Monoisotopic mass317.068146 Da
  • ChemSpider ID62982112
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

4(1H)-Pyrimidinone, 5-(2-amino-2-oxoethyl)-2,3-dihydro-1-β-D-ribofuranosyl-2-thioxo- [ACD/Index Name]
5-(2-Amino-2-oxoethyl)-1-(β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
5-(2-Amino-2-oxoethyl)-1-(β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone [ACD/IUPAC Name]
5-(2-Amino-2-oxoéthyl)-1-(β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
29900-40-1 [RN]

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: 1.727
Molar Refractivity: 73.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.84
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 112.3±5.0 dyne/cm
Molar Volume: 184.3±5.0 cm3

Click to predict properties on the Chemicalize site






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