ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(4-Amino-5-iodo-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl h ydrogen phosphate | C19H24IN8O12P

[(2R,3S,4R,5R)-5-(4-Amino-5-iodo-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl h ydrogen phosphate

  • Molecular FormulaC19H24IN8O12P
  • Average mass714.318 Da
  • Monoisotopic mass714.029602 Da
  • ChemSpider ID166481

  • 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-(4-Amino-5-iod-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methylhyd rogenphosphat [German] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(4-Amino-5-iodo-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl h ydrogen phosphate [ACD/IUPAC Name]
Hydrogénophosphate de [(2R,3S,4R,5R)-5-(4-amino-5-iodo-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxy tétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
55628-64-3 [RN]
5-Iodocytidylyl-(3'-5')-guanosine
Guanosine, 5-iodocytidylyl-(3'-5')-

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1050.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.1±3.0 kJ/mol
Flash Point: 589.2±37.1 °C
Index of Refraction: 1.973
Molar Refractivity: 133.2±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.85
ACD/LogD (pH 5.5): -6.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 139.5±7.0 dyne/cm
Molar Volume: 271.4±7.0 cm3

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