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,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-fu ranyl hydrogen phosphate | C20H25N10O12P

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-fu ranyl hydrogen phosphate

  • Molecular FormulaC20H25N10O12P
  • Average mass628.446 Da
  • Monoisotopic mass628.139099 Da
  • ChemSpider ID85068

  • 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-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-fu ranyl hydrogen phosphate [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,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-fu ranylhydrogenphosphat [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,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-( hydroxyméthyl)tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Guanylyl-(3'.5')-guanosine
Guanylyl-(3'-5')-guanosine
Phosphoric acid 5-(2-amino-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(2-amino-6-oxo-1,6-dihydro-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester
rGprG

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

AIDS082130 [DBID]
AIDS-082130 [DBID]
NSC 620336 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1215.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 189.1±3.0 kJ/mol
Flash Point: 688.7±37.1 °C
Index of Refraction: 2.042
Molar Refractivity: 128.7±0.5 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -6.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 336 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 161.4±7.0 dyne/cm
Molar Volume: 250.6±7.0 cm3

Click to predict properties on the Chemicalize site


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