ChemSpider 2D Image | [(2R,3R,3aS)-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)-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 ID58815988

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

[(2R,3R,3aS)-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)-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)- [ACD/Index Name]
Dihydrogénophosphate de [(2R,3R,3aS)-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]
39679-56-6 [RN]
CYTIDINE 2, 2'-CYCLIC-5'-MONOPHOSPHATE (CYCLO-CMP)

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


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