ChemSpider 2D Image | [(2R,3R,3aS,9aR)-3-Hydroxy-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyl dihydrogen phosphate | C9H12N3O7P

[(2R,3R,3aS,9aR)-3-Hydroxy-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyl dihydrogen phosphate

  • Molecular FormulaC9H12N3O7P
  • Average mass305.181 Da
  • Monoisotopic mass305.041290 Da
  • ChemSpider ID44750610

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2R,3R,3aS,9aR)-3-Hydroxy-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(2R,3R,3aS,9aR)-3-Hydroxy-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, α-(dihydrogen phosphate), (2R,3R,3aS,9aR)- [ACD/Index Name]
Dihydrogénophosphate de [(2R,3R,3aS,9aR)-3-hydroxy-6-imino-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]
[(2R,3R,3aS,6E)-3-Hydroxy-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyl dihydro gen phosphate
39679-56-6 [RN]
Cyclo-cmp
Cytidine 2, 2'-cyclic-5'-monophosphate

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

    Density: 2.3±0.1 g/cm3
    Boiling Point: 564.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.5±6.0 kJ/mol
    Flash Point: 295.3±32.9 °C
    Index of Refraction: 1.853
    Molar Refractivity: 59.7±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -2.38
    ACD/LogD (pH 5.5): -5.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 155 Å2
    Polarizability: 23.7±0.5 10-24cm3
    Surface Tension: 130.7±7.0 dyne/cm
    Molar Volume: 133.4±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement