ChemSpider 2D Image | 1-(5-O-{[(2R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)-2,5-dihydro-2-furanyl]methyl}-3-O-phosphono-beta-D-ribofuranosyl)-2(1H)-pyrimidinone | C19H23N7O14P2

1-(5-O-{[(2R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)-2,5-dihydro-2-furanyl]methyl}-3-O-phosphono-β-D-ribofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC19H23N7O14P2
  • Average mass635.372 Da
  • Monoisotopic mass635.077820 Da
  • ChemSpider ID2339638

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-(5-O-{[(2R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)-2,5-dihydro-2-furanyl]methyl}-3-O-phosphono-β-D-ribofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(5-O-{[(2R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)-2,5-dihydro-2-furanyl]methyl}-3-O-phosphono-β-D-ribofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-(5-O-{[(2R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)-2,5-dihydro-2-furanyl]méthyl}-3-O-phosphono-β-D-ribofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[5-O-[[(2R,5R)-5-(6-amino-9H-purin-9-yl)-2,5-dihydro-3-hydroxy-4-(phosphonooxy)-2-furanyl]methyl]-3-O-phosphono-β-D-ribofuranosyl]- [ACD/Index Name]
20787-33-1 [RN]
24458-30-8 [RN]
Adenosine, 2',3'-O-phosphinicouridylyl-(5'-3')-
Bis(3'-5')cyclic(uridylyl-adenosine monophosphate)
Cyclic bis((3'-5')uridylyl-adenylic acid)
Cyclo-apup

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

24458-30-8,20787-33-1 [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: 1087.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.1±3.0 kJ/mol
Flash Point: 611.3±37.1 °C
Index of Refraction: 1.870
Molar Refractivity: 127.7±0.5 cm3
#H bond acceptors: 21
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.17
ACD/LogD (pH 5.5): -9.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 135.9±7.0 dyne/cm
Molar Volume: 281.1±7.0 cm3

Click to predict properties on the Chemicalize site


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