ChemSpider 2D Image | 5'-{[(3S)-3-Amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino}-5'-deoxyadenosine | C24H30N8O5

5'-{[(3S)-3-Amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino}-5'-deoxyadenosine

  • Molecular FormulaC24H30N8O5
  • Average mass510.546 Da
  • Monoisotopic mass510.233917 Da
  • ChemSpider ID28516859

  • 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-(1H-indol-3-yl)ethyl]amino}-5'-deoxyadenosine [ACD/IUPAC Name]
5'-{[(3S)-3-Amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino}-5'-desoxyadenosin [German] [ACD/IUPAC Name]
5'-{[(3S)-3-Amino-3-carboxypropyl][2-(1H-indol-3-yl)éthyl]amino}-5'-désoxyadénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-[[(3S)-3-amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino]-5'-deoxy- [ACD/Index Name]
0Y1

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

Density: 1.7±0.1 g/cm3
Boiling Point: 900.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.2±3.0 kJ/mol
Flash Point: 498.6±37.1 °C
Index of Refraction: 1.789
Molar Refractivity: 129.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 79.0±7.0 dyne/cm
Molar Volume: 305.4±7.0 cm3

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