ChemSpider 2D Image | (4xi)-5'-S-[(3S)-3-ammonio-3-carboxylatopropyl]-5'-thioadenosine | C14H20N6O5S

(4ξ)-5'-S-[(3S)-3-ammonio-3-carboxylatopropyl]-5'-thioadenosine

  • Molecular FormulaC14H20N6O5S
  • Average mass384.411 Da
  • Monoisotopic mass384.121582 Da
  • ChemSpider ID23217251

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(4ξ)-5'-S-[(3S)-3-ammonio-3-carboxylatopropyl]-5'-thioadenosine
9-{(4ξ)-5-S-[(3S)-3-Ammonio-3-carboxylatopropyl]-5-thio-D-erythro-pentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{(4ξ)-5-S-[(3S)-3-Ammonio-3-carboxylatopropyl]-5-thio-D-erythro-pentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{(4ξ)-5-S-[(3S)-3-Ammonio-3-carboxylatopropyl]-5-thio-D-érythro-pentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
adenosine, 5'-S-[(3S)-3-amino-3-carboxypropyl]-5'-thio-, (4ξ)- [ACD/Index Name]
4-[5-(6-amino-9H-9-purinyl)-3,4-dihydroxy-(3S,4R)-tetrahydro-2-furanylmethylsulfanyl]-2-ammonio-(2S)-butanoate
CHEMBL142828

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

Density:
Boiling Point: 787.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 430.0±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement