ChemSpider 2D Image | 5'-S-[(3R)-3,4-Dihydroxybutyl]-5'-thioadenosine | C14H21N5O5S

5'-S-[(3R)-3,4-Dihydroxybutyl]-5'-thioadenosine

  • Molecular FormulaC14H21N5O5S
  • Average mass371.412 Da
  • Monoisotopic mass371.126343 Da
  • ChemSpider ID25059096

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-S-[(3R)-3,4-Dihydroxybutyl]-5'-thioadenosin [German] [ACD/IUPAC Name]
5'-S-[(3R)-3,4-Dihydroxybutyl]-5'-thioadenosine [ACD/IUPAC Name]
5'-S-[(3R)-3,4-Dihydroxybutyl]-5'-thioadénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-S-[(3R)-3,4-dihydroxybutyl]-5'-thio- [ACD/Index Name]
A7D

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

Density: 1.8±0.1 g/cm3
Boiling Point: 755.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.5±35.7 °C
Index of Refraction: 1.797
Molar Refractivity: 87.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.69
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.07
Polar Surface Area: 185 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 86.2±7.0 dyne/cm
Molar Volume: 204.3±7.0 cm3

Click to predict properties on the Chemicalize site


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