ChemSpider 2D Image | [(2R,3R,3aR,9aR)-3-Acetoxy-6-iminio-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyl hydrogen phosphate | C11H14N3O8P

[(2R,3R,3aR,9aR)-3-Acetoxy-6-iminio-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyl hydrogen phosphate

  • Molecular FormulaC11H14N3O8P
  • Average mass347.218 Da
  • Monoisotopic mass347.051849 Da
  • ChemSpider ID34229346

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2R,3R,3aR,9aR)-3-Acetoxy-6-iminio-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyl hydrogen phosphate [ACD/IUPAC Name]
[(2R,3R,3aR,9aR)-3-Acetoxy-6-iminio-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methylhydrogenphosphat [German] [ACD/IUPAC Name]
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 3-(acetyloxy)-2,3,3a,9a-tetrahydro-6-imino-, dihydrogen phosphate (ester), (2R,3R,3aR,9aR)- [ACD/Index Name]
Hydrogénophosphate de [(2R,3R,3aR,9aR)-3-acétoxy-6-iminio-2,3,3a,9a-tétrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]méthyle [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 534.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 276.8±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -4.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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