ChemSpider 2D Image | 3-{3-O-(4-Benzoylbenzoyl)-2-deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-beta-D-erythro-pentofuranosyl}-3H-imidazo[2,1-i]purine | C26H23N5O11P2

3-{3-O-(4-Benzoylbenzoyl)-2-deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-erythro-pentofuranosyl}-3H-imidazo[2,1-i]purine

  • Molecular FormulaC26H23N5O11P2
  • Average mass643.435 Da
  • Monoisotopic mass643.086914 Da
  • ChemSpider ID169053

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-{3-O-(4-Benzoylbenzoyl)-2-deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-erythro-pentofuranosyl}-3H-imidazo[2,1-i]purine [ACD/IUPAC Name]
3-{3-O-(4-Benzoylbenzoyl)-2-desoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-erythro-pentofuranosyl}-3H-imidazo[2,1-i]purin [German] [ACD/IUPAC Name]
3-{3-O-(4-Benzoylbenzoyl)-2-désoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-érythro-pentofuranosyl}-3H-imidazo[2,1-i]purine [French] [ACD/IUPAC Name]
3H-Imidazo[2,1-i]purine, 3-[3-O-(4-benzoylbenzoyl)-2-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-erythro-pentofuranosyl]- [ACD/Index Name]
110682-79-6 [RN]
2'-Deoxy-3'-O-(4-benzoylbenzoyl)-1,N(6)-ethenoadenonosine 5'-diphosphate
3'(BZ2)2'd-ε ADP

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.761
Molar Refractivity: 149.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -5.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 90.4±7.0 dyne/cm
Molar Volume: 362.5±7.0 cm3

Click to predict properties on the Chemicalize site


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