ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4R,5R)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl hy drogen (R)-phosphate | C19H25N8O12P

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4R,5R)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl hy drogen (R)-phosphate

  • Molecular FormulaC19H25N8O12P
  • Average mass588.422 Da
  • Monoisotopic mass588.132935 Da
  • ChemSpider ID394688

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4R,5R)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl hy drogen (R)-phosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3R,4R,5R)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanylhyd rogen(R)-phosphat [German] [ACD/IUPAC Name]
Hydrogéno(R)-phosphate de [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,4R,5R)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-5-(hydr oxyméthyl)tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
CG2
CYTIDYL-2'-5'-PHOSPHO-GUANOSINE

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1057.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.2±3.0 kJ/mol
Flash Point: 593.4±37.1 °C
Index of Refraction: 1.927
Molar Refractivity: 120.6±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.79
ACD/LogD (pH 5.5): -6.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 138.0±7.0 dyne/cm
Molar Volume: 253.8±7.0 cm3

Click to predict properties on the Chemicalize site


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