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,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosph ate | C19H25N8O11P

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosph ate

  • Molecular FormulaC19H25N8O11P
  • Average mass572.423 Da
  • Monoisotopic mass572.138062 Da
  • ChemSpider ID166080

  • defined stereocentres - 7 of 7 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,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosph ate [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,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate 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,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-f uranyl]méthyle [French] [ACD/IUPAC Name]
1,2,2,6,6-Pentamethyl-4-piperidinone [ACD/IUPAC Name]
2'-Deoxycytidylyl-(3'-5')-guanosine
52474-59-6 [RN]
5554-54-1 [RN]
Deoxycytidylyl-3',5'-guanosine

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1012.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.8±3.0 kJ/mol
Flash Point: 566.1±37.1 °C
Index of Refraction: 1.903
Molar Refractivity: 119.7±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.02
ACD/LogD (pH 5.5): -6.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 128.7±7.0 dyne/cm
Molar Volume: 256.6±7.0 cm3

Click to predict properties on the Chemicalize site


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