Found 1 result

Search term: C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C(=O)O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-Amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydro-5-pyrimidinecarboxylic acid | C10H13FN3O9P

4-Amino-1-(2-deoxy-2-fluoro-5-O-phosphono-β-D-arabinofuranosyl)-2-oxo-1,2-dihydro-5-pyrimidinecarboxylic acid

  • Molecular FormulaC10H13FN3O9P
  • Average mass369.197 Da
  • Monoisotopic mass369.037354 Da
  • ChemSpider ID59051508

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-Amino-1-(2-deoxy-2-fluoro-5-O-phosphono-β-D-arabinofuranosyl)-2-oxo-1,2-dihydro-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
4-Amino-1-(2-desoxy-2-fluor-5-O-phosphono-β-D-arabinofuranosyl)-2-oxo-1,2-dihydro-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-β-D-arabinofuranosyl)-1,2-dihydro-2-oxo- [ACD/Index Name]
Acide 4-amino-1-(2-désoxy-2-fluoro-5-O-phosphono-β-D-arabinofuranosyl)-2-oxo-1,2-dihydro-5-pyrimidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 707.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.2±6.0 kJ/mol
Flash Point: 381.5±35.7 °C
Index of Refraction: 1.753
Molar Refractivity: 67.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -7.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 113.4±7.0 dyne/cm
Molar Volume: 166.2±7.0 cm3

Click to predict properties on the Chemicalize site


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