Found 1 result

Search term: C[C@@]1(F)C(=N)NC(=O)N([C@@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C1=S (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (4E,5R)-1-(2-Deoxy-5-O-phosphono-alpha-D-erythro-pentofuranosyl)-5-fluoro-4-imino-5-methyl-6-thioxotetrahydro-2(1H)-pyrimidinone | C10H15FN3O7PS

(4E,5R)-1-(2-Deoxy-5-O-phosphono-α-D-erythro-pentofuranosyl)-5-fluoro-4-imino-5-methyl-6-thioxotetrahydro-2(1H)-pyrimidinone

  • Molecular FormulaC10H15FN3O7PS
  • Average mass371.279 Da
  • Monoisotopic mass371.035000 Da
  • ChemSpider ID25057977

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4E,5R)-1-(2-Deoxy-5-O-phosphono-α-D-erythro-pentofuranosyl)-5-fluoro-4-imino-5-methyl-6-thioxotetrahydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
(4E,5R)-1-(2-Desoxy-5-O-phosphono-α-D-erythro-pentofuranosyl)-5-fluor-4-imino-5-methyl-6-thioxotetrahydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
(4E,5R)-1-(2-Désoxy-5-O-phosphono-α-D-érythro-pentofuranosyl)-5-fluoro-4-imino-5-méthyl-6-thioxotétrahydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-(2-deoxy-5-O-phosphono-α-D-erythro-pentofuranosyl)-5-fluorotetrahydro-4-imino-5-methyl-6-thioxo-, (4E,5R)- [ACD/Index Name]

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

Density: 2.0±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 73.9±0.0 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 29.3±0.0 10-24cm3
Surface Tension: 88.7±0.0 dyne/cm
Molar Volume: 184.8±0.0 cm3

Click to predict properties on the Chemicalize site


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