Found 1 result

Search term: C1=C(C(=O)NC(=S)N1C2C(C(C(O2)COP(=O)(O)O)O)O)C=NCC(=O)O (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (E)-N-{[4-Oxo-1-(5-O-phosphono-beta-D-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]methylene}glycine | C12H16N3O10PS

(E)-N-{[4-Oxo-1-(5-O-phosphono-β-D-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]methylene}glycine

  • Molecular FormulaC12H16N3O10PS
  • Average mass425.308 Da
  • Monoisotopic mass425.029388 Da
  • ChemSpider ID59051524

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(E)-N-{[4-Oxo-1-(5-O-phosphono-β-D-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]methylen}glycin [German] [ACD/IUPAC Name]
(E)-N-{[4-Oxo-1-(5-O-phosphono-β-D-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]methylene}glycine [ACD/IUPAC Name]
(E)-N-{[4-Oxo-1-(5-O-phosphono-β-D-arabinofuranosyl)-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinyl]méthylène}glycine [French] [ACD/IUPAC Name]
Glycine, N-[[1,2,3,4-tetrahydro-4-oxo-1-(5-O-phosphono-β-D-arabinofuranosyl)-2-thioxo-5-pyrimidinyl]methylene]-, (E)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.766
Molar Refractivity: 86.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -5.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 240 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 102.8±7.0 dyne/cm
Molar Volume: 209.3±7.0 cm3

Click to predict properties on the Chemicalize site


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