ChemSpider 2D Image | 3-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-3H-imidazo[2,1-i]purine | C12H16N5O12P3

3-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-3H-imidazo[2,1-i]purine

  • Molecular FormulaC12H16N5O12P3
  • Average mass515.203 Da
  • Monoisotopic mass515.000854 Da
  • ChemSpider ID2300750

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-3H-imidazo[2,1-i]purine [ACD/IUPAC Name]
3-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-3H-imidazo[2,1-i]purin [German] [ACD/IUPAC Name]
3-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-érythro-pentofuranosyl]-3H-imidazo[2,1-i]purine [French] [ACD/IUPAC Name]
3H-Imidazo[2,1-i]purine, 3-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]- [ACD/Index Name]
[HYDROXY({HYDROXY[(2R,3S,5R)-3-HYDROXY-5-{IMIDAZO[2,1-F]PURIN-3-YL}OXOLAN-2-YL]METHOXYPHOSPHORYL}OXY)PHOSPHORYL]OXYPHOSPHONIC ACID
{[HYDROXY({[HYDROXY({[(2R,3S,5R)-3-HYDROXY-5-{3H-IMIDAZO[2,1-F]PURIN-3-YL}OXOLAN-2-YL]METHOXY})PHOSPHORYL]OXY})PHOSPHORYL]OXY}PHOSPHONIC ACID
1,N(6)-Etheno-2'-deoxyadenosine 5'-triphosphate
1,N(sup 6)-Ethenodeoxyadenosine triphosphate
3H-Imidazo(2,1-i)purine, 3-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-β-D-erythro-pentofuranosyl)-
81004-54-8 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.883
Molar Refractivity: 97.7±0.5 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.49
ACD/LogD (pH 5.5): -11.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 167.1±7.0 dyne/cm
Molar Volume: 212.8±7.0 cm3

Click to predict properties on the Chemicalize site


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