Found 2 results

Search term: BHCRQXWMNOFEEK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 9-{[(1S,2S,5S,6S,9S)-9,11,11-Trimethyl-3-oxotricyclo[4.3.2.0~1,5~]undec-2-yl]methyl}-7,9-dihydro-1H-purine-6,8-dione | C20H26N4O3

9-{[(1S,2S,5S,6S,9S)-9,11,11-Trimethyl-3-oxotricyclo[4.3.2.01,5]undec-2-yl]methyl}-7,9-dihydro-1H-purine-6,8-dione

  • Molecular FormulaC20H26N4O3
  • Average mass370.445 Da
  • Monoisotopic mass370.200500 Da
  • ChemSpider ID23340878

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3a,7-Ethano-3aH-inden-2(3H)-one, 3-[(6,8-dihydroxy-9H-purin-9-yl)methyl]hexahydro-4,8,8-trimethyl-, (3S,3aS,4S,7S,7aS)- [ACD/Index Name]
9-{[(1S,2S,5S,6S,9S)-9,11,11-Trimethyl-3-oxotricyclo[4.3.2.01,5]undec-2-yl]methyl}-7,9-dihydro-1H-purin-6,8-dion [German] [ACD/IUPAC Name]
9-{[(1S,2S,5S,6S,9S)-9,11,11-Trimethyl-3-oxotricyclo[4.3.2.01,5]undec-2-yl]methyl}-7,9-dihydro-1H-purine-6,8-dione [ACD/IUPAC Name]
9-{[(1S,2S,5S,6S,9S)-9,11,11-Triméthyl-3-oxotricyclo[4.3.2.01,5]undéc-2-yl]méthyl}-7,9-dihydro-1H-purine-6,8-dione [French] [ACD/IUPAC Name]
(3S,3aS,4S,7S,7aS)-3-[(6,8-dihydroxy-9H-purin-9-yl)methyl]-4,8,8-trimethylhexahydro-3a,7-ethanoinden-2(3H)-one
6-(9'-purine-6',8'-diolyl)suberosanone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 611.4±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 323.6±32.3 °C
Index of Refraction: 1.768
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 236.8±7.0 cm3

Click to predict properties on the Chemicalize site


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