ChemSpider 2D Image | 1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-1H-imidazo[2,1-b]purin-4(5H)-one | C12H16N5O13P3

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-1H-imidazo[2,1-b]purin-4(5H)-one

  • Molecular FormulaC12H16N5O13P3
  • Average mass531.202 Da
  • Monoisotopic mass530.995728 Da
  • ChemSpider ID131445
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-1H-imidazo[2,1-b]purin-4(5H)-one [ACD/IUPAC Name]
1-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-1H-imidazo[2,1-b]purin-4(5H)-on [German] [ACD/IUPAC Name]
1-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-érythro-pentofuranosyl]-1H-imidazo[2,1-b]purin-4(5H)-one [French] [ACD/IUPAC Name]
1H-Imidazo[2,1-b]purin-4(5H)-one, 1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]- [ACD/Index Name]
121055-54-7 [RN]
4H-Imidazo(2,1-b)purin-4-one, 1-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-β-D-erythro-pentofuranosyl)-1,5-dihydro-
Edguo-ppp
N(2),3-Etheneodeoxyguanosine-5'-triphosphate
N(2),3-Ethenodeoxyguanosine 5'-triphosphate
ε-dgtp

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.911
Molar Refractivity: 98.5±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.08
ACD/LogD (pH 5.5): -11.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 181.3±7.0 dyne/cm
Molar Volume: 210.0±7.0 cm3

Click to predict properties on the Chemicalize site






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