ChemSpider 2D Image | 8-Azido-9-[2-O-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-9H-purin-6-amine | C22H26N9O15P3S

8-Azido-9-[2-O-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC22H26N9O15P3S
  • Average mass781.479 Da
  • Monoisotopic mass781.048218 Da
  • ChemSpider ID114603

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

8-Azido-9-[2-O-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
8-Azido-9-[2-O-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
8-Azido-9-[2-O-{[5-(diméthylamino)-1-naphtyl]sulfonyl}-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 8-azido-9-[2-O-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-D-ribofuranosyl]- [ACD/Index Name]
121258-46-6 [RN]
8-Azido-2'-O-dansyladenosine triphosphate
8-Azido-2'-O-dansyl-ATP
Adenosine 5'-(tetrahydrogen triphosphate), 8-azido-, 2'-(5-(dimethylamino)-1-naphthalenesulfonate)

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.59
ACD/LogD (pH 5.5): -9.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 356 Å2
Polarizability:
Surface Tension:
Molar Volume:

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