ChemSpider 2D Image | (2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxytetrahydro -3-furanyl dihydrogen phosphate | C19H26N8O14P2

(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxytetrahydro -3-furanyl dihydrogen phosphate

  • Molecular FormulaC19H26N8O14P2
  • Average mass652.403 Da
  • Monoisotopic mass652.104370 Da
  • ChemSpider ID2340916

  • 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)-2-({[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxytetrahydro -3-furanyl dihydrogen phosphate [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxytetrahydro -3-furanyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxyméthyl)tétrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}mét hyl)-4-hydroxytétrahydro-3-furanyle [French] [ACD/IUPAC Name]
2348-33-6 [RN]
24458-29-5 [RN]
3'-Cytidylic acid, adenylyl-(3'-5')-
Adenylyl(3'-5')cytidine-3'-phosphate
ApCp

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

24458-29-5,2348-33-6 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1090.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.6±3.0 kJ/mol
Flash Point: 613.0±37.1 °C
Index of Refraction: 1.904
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.93
ACD/LogD (pH 5.5): -9.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 350 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 146.7±7.0 dyne/cm
Molar Volume: 277.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement