ChemSpider 2D Image | 5'-S-{1-Amino-8-[(3-aminopropyl)amino]-3-octanyl}-5'-thioadenosine | C21H38N8O3S

5'-S-{1-Amino-8-[(3-aminopropyl)amino]-3-octanyl}-5'-thioadenosine

  • Molecular FormulaC21H38N8O3S
  • Average mass482.643 Da
  • Monoisotopic mass482.278748 Da
  • ChemSpider ID24677713

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

5'-S-{1-Amino-8-[(3-aminopropyl)amino]-3-octanyl}-5'-thioadenosin [German] [ACD/IUPAC Name]
5'-S-{1-Amino-8-[(3-aminopropyl)amino]-3-octanyl}-5'-thioadenosine [ACD/IUPAC Name]
5'-S-{1-Amino-8-[(3-aminopropyl)amino]-3-octanyl}-5'-thioadénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-S-[1-(2-aminoethyl)-6-[(3-aminopropyl)amino]hexyl]-5'-thio- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 770.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 419.8±35.7 °C
Index of Refraction: 1.705
Molar Refractivity: 124.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -5.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 66.7±7.0 dyne/cm
Molar Volume: 320.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement