Found 2 results

Search term: HQNNGUVJHWYNQI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7-[(2R)-3-(Allyloxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione | C20H21N7O5

7-[(2R)-3-(Allyloxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC20H21N7O5
  • Average mass439.425 Da
  • Monoisotopic mass439.160431 Da
  • ChemSpider ID62456688

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Purine-2,6-dione, 8-[(2E)-2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-7-[(2R)-2-hydroxy-3-(2-propen-1-yloxy)propyl]-3-methyl- [ACD/Index Name]
1H-Purine-2,6-dione, 8-[(2Z)-2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-7-[(2R)-2-hydroxy-3-(2-propen-1-yloxy)propyl]-3-methyl- [ACD/Index Name]
7-[(2R)-3-(Allyloxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-yliden)hydrazino]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-[(2R)-3-(Allyloxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-[(2R)-3-(Allyloxy)-2-hydroxypropyl]-3-méthyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidène)hydrazino]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
7-[(2R)-3-(Allyloxy)-2-hydroxypropyl]-3-methyl-8-[(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-yliden)hydrazino]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-[(2R)-3-(Allyloxy)-2-hydroxypropyl]-3-methyl-8-[(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-[(2R)-3-(Allyloxy)-2-hydroxypropyl]-3-méthyl-8-[(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidène)hydrazino]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 112.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.17
ACD/KOC (pH 5.5): 156.42
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 8.00
ACD/KOC (pH 7.4): 153.20
Polar Surface Area: 150 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 279.2±7.0 cm3

Click to predict properties on the Chemicalize site


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