ChemSpider 2D Image | [(3R,4R,5R)-2-(6-amino-8-azido-purin-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)tetrahydrofuran-3-yl]oxy dihydrogen phosphate | C16H14N11O13P

[(3R,4R,5R)-2-(6-amino-8-azido-purin-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)tetrahydrofuran-3-yl]oxy dihydrogen phosphate

  • Molecular FormulaC16H14N11O13P
  • Average mass599.322 Da
  • Monoisotopic mass599.051025 Da
  • ChemSpider ID114362

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

[(3R,4R,5R)-2-(6-Amino-8-azidopurin-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)oxolan-3-yl]oxy dihydrogen phosphate
120229-04-1 [RN]
2',3'-O-(2,4,6-Trinitrophenyl)-8-azidoadenosine monophosphate
2,3-Tpaamp
5'-Adenylic-8-14C acid,8-azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-) (9CI)

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: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -5.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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