ChemSpider 2D Image | 1-(beta-D-glycero-Pentofuranosyl)-5-{[(2-sulfoethyl)amino]methyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone | C12H19N3O8S2

1-(β-D-glycero-Pentofuranosyl)-5-{[(2-sulfoethyl)amino]methyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

  • Molecular FormulaC12H19N3O8S2
  • Average mass397.425 Da
  • Monoisotopic mass397.061340 Da
  • ChemSpider ID35032076

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1-(β-D-glycero-Pentofuranosyl)-5-{[(2-sulfoethyl)amino]methyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(β-D-glycero-Pentofuranosyl)-5-{[(2-sulfoethyl)amino]methyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone [ACD/IUPAC Name]
1-(β-D-glycéro-Pentofuranosyl)-5-{[(2-sulfoéthyl)amino]méthyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4(1H)-Pyrimidinone, 2,3-dihydro-1-β-D-glycero-pentofuranosyl-5-[[(2-sulfoethyl)amino]methyl]-2-thioxo- [ACD/Index Name]
2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)amino]ethane-1-sulfonic acid
2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-3H-pyrimidin-5-yl}methyl)amino]ethanesulfonic acid
2-[[(1,2,3,4-Tetrahydro-4-oxo-1-b-D-ribofuranosyl-2-thioxo-5-pyrimidinyl)methyl]amino]-Ethanesulfonic acid
2-[[(1,2,3,4-Tetrahydro-4-oxo-1-β-δ-ribofuranosyl-2-thioxo-5-pyrimidinyl)methyl]amino]-Ethanesulfonic acid
497258-54-5 [RN]

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

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: 1.717
Molar Refractivity: 88.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.77
ACD/LogD (pH 5.5): -5.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 112.5±5.0 dyne/cm
Molar Volume: 224.2±5.0 cm3

Click to predict properties on the Chemicalize site


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