ChemSpider 2D Image | 3-[5-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]-3H-imidazo[2,1-i]purine | C12H17N6O12P3

3-[5-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-3H-imidazo[2,1-i]purine

  • Molecular FormulaC12H17N6O12P3
  • Average mass530.218 Da
  • Monoisotopic mass530.011719 Da
  • ChemSpider ID170271

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[5-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-3H-imidazo[2,1-i]purin [German] [ACD/IUPAC Name]
3-[5-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-3H-imidazo[2,1-i]purine [ACD/IUPAC Name]
3-[5-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-3H-imidazo[2,1-i]purine [French] [ACD/IUPAC Name]
3H-Imidazo[2,1-i]purine, 3-[5-O-[hydroxy[[hydroxy(phosphonoamino)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
({[({[(2R,3S,4R,5R)-3,4-DIHYDROXY-5-{3H-IMIDAZO[2,1-F]PURIN-3-YL}OXOLAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL)OXY](HYDROXY)PHOSPHORYL}AMINO)PHOSPHONIC ACID
({[(2R,3S,4R,5R)-3,4-DIHYDROXY-5-{IMIDAZO[2,1-F]PURIN-3-YL}OXOLAN-2-YL]METHOXY(HYDROXY)PHOSPHORYL}OXY(HYDROXY)PHOSPHORYL)AMINOPHOSPHONIC ACID
1,N(6)-Etheno-imido ATP
3H-Imidazo(2,1-i)purine, 3-(5-O-(hydroxy((hydroxy(phosphonoamino)phosphinyl)oxy)phosphinyl)-β-D-ribofuranosyl)-
78368-53-3 [RN]
Ethenoadenylyl imidodiphosphate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.945
Molar Refractivity: 100.2±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.37
ACD/LogD (pH 5.5): -11.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 188.2±7.0 dyne/cm
Molar Volume: 208.2±7.0 cm3

Click to predict properties on the Chemicalize site


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