ChemSpider 2D Image | 5'-{[(3S)-3-Amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine | C22H38N8O5

5'-{[(3S)-3-Amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine

  • Molecular FormulaC22H38N8O5
  • Average mass494.588 Da
  • Monoisotopic mass494.296509 Da
  • ChemSpider ID26369675

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-{[(3S)-3-Amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine [ACD/IUPAC Name]
5'-{[(3S)-3-Amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-desoxyadenosin [German] [ACD/IUPAC Name]
5'-{[(3S)-3-Amino-3-carboxypropyl][2-(hexylamino)éthyl]amino}-5'-désoxyadénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-[[(3S)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino]-5'-deoxy- [ACD/Index Name]
KH3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 782.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 427.1±35.7 °C
Index of Refraction: 1.682
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -3.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 329.5±7.0 cm3

Click to predict properties on the Chemicalize site


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