ChemSpider 2D Image | [(2s,3r,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl] 2-(1h-Indol-3-Yl)ethyl Hydrogen Phosphate | C19H21N6O7P

[(2s,3r,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl] 2-(1h-Indol-3-Yl)ethyl Hydrogen Phosphate

  • Molecular FormulaC19H21N6O7P
  • Average mass476.380 Da
  • Monoisotopic mass476.120941 Da
  • ChemSpider ID35034496

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl 2-(1H-indol-3-yl)ethyl hydrogen (S)-phosphate [ACD/IUPAC Name]
(2S,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl-2-(1H-indol-3-yl)ethylhydrogen(S)-phosphat [German] [ACD/IUPAC Name]
[(2s,3r,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl] 2-(1h-Indol-3-Yl)ethyl Hydrogen Phosphate
Hydrogéno(S)-phosphate de (2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyle et de 2-(1H-indol-3-yl)éthyle [French] [ACD/IUPAC Name]
Phosphoric acid, (2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)tetrahydro-3,4-dihydroxy-2-furanyl 2-(1H-indol-3-yl)ethyl ester, (S)- [ACD/Index Name]
V1N

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

Density: 1.9±0.1 g/cm3
Boiling Point: 872.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.8±3.0 kJ/mol
Flash Point: 481.4±37.1 °C
Index of Refraction: 1.826
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -3.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 96.5±7.0 dyne/cm
Molar Volume: 251.0±7.0 cm3

Click to predict properties on the Chemicalize site


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