ChemSpider 2D Image | (2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl hydrogen phosphate ( non-preferred name) | C19H25N8O11P

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

  • Molecular FormulaC19H25N8O11P
  • Average mass572.423 Da
  • Monoisotopic mass572.138062 Da
  • ChemSpider ID82640

  • 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-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl hydrogen phosphate ( non-preferred name) [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methylhydrogenphosphat (non -preferred name) [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxyméthyl)tétrahydro-3-furanyle et de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furany l]méthyle [French] [ACD/IUPAC Name]
(3'-5')CpA
Adenosine, cytidylyl-(3'-5')- (8CI)(9CI)
Cytidine, adenylyl-(5'-3')-
Cytidylyl adenosine
Cytidylyl(3'.5')adenosine
cytidylyl-(3'-5')-adenosine
Cytidylyl-3',5'-adenosine phosphate

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

5 [DBID]
NSC 91552 [DBID]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 993.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.7±3.0 kJ/mol
Flash Point: 554.5±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: -2.53
ACD/LogD (pH 5.5): -6.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 293 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 128.7±7.0 dyne/cm
Molar Volume: 256.6±7.0 cm3

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