Found 19 results

Search term: RYSMHWILUNYBFW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 9-[(2xi)-3-Amino-3-deoxy-beta-D-threo-pentofuranosyl]-N,N-dimethyl-9H-purin-6-amine | C12H18N6O3

9-[(2ξ)-3-Amino-3-deoxy-β-D-threo-pentofuranosyl]-N,N-dimethyl-9H-purin-6-amine

  • Molecular FormulaC12H18N6O3
  • Average mass294.310 Da
  • Monoisotopic mass294.144043 Da
  • ChemSpider ID74849332

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-[(2ξ)-3-Amino-3-deoxy-β-D-threo-pentofuranosyl]-N,N-dimethyl-9H-purin-6-amine [ACD/IUPAC Name]
9-[(2ξ)-3-Amino-3-desoxy-β-D-threo-pentofuranosyl]-N,N-dimethyl-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[(2ξ)-3-Amino-3-désoxy-β-D-thréo-pentofuranosyl]-N,N-diméthyl-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(2ξ)-3-amino-3-deoxy-β-D-threo-pentofuranosyl]-N,N-dimethyl- [ACD/Index Name]
3'-Amino-3'-deoxy-N6,N6-dimethyladenosine
58-60-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 595.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 314.0±32.9 °C
Index of Refraction: 1.776
Molar Refractivity: 71.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.69
Polar Surface Area: 123 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 172.1±7.0 cm3

Click to predict properties on the Chemicalize site


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