ChemSpider 2D Image | 7-Deazaadenosine-5'-Triphosphate | C11H17N4O13P3

7-Deazaadenosine-5'-Triphosphate

  • Molecular FormulaC11H17N4O13P3
  • Average mass506.193 Da
  • Monoisotopic mass506.000488 Da
  • ChemSpider ID145307

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

7-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
7-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
7-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7-Deazaadenosine-5'-Triphosphate
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
10058-66-9 [RN]
7DT
tubercidin 5/'-triphosphate
Tubercidin 5'-triphosphate

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

Density: 2.5±0.1 g/cm3
Boiling Point: 929.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.6±3.0 kJ/mol
Flash Point: 515.8±37.1 °C
Index of Refraction: 1.854
Molar Refractivity: 91.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.21
ACD/LogD (pH 5.5): -10.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 296 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 173.9±7.0 dyne/cm
Molar Volume: 203.8±7.0 cm3

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