ChemSpider 2D Image | (2S)-2-Amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy(~13~C_4_)tetrahydro-2-furanyl](~13~C)methyl}sulfanyl)butanoic acid (non-preferred name) | C913C5H20N6O5S

(2S)-2-Amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy(13C4)tetrahydro-2-furanyl](13C)methyl}sulfanyl)butanoic acid (non-preferred name)

  • Molecular FormulaC913C5H20N6O5S
  • Average mass389.374 Da
  • Monoisotopic mass389.138367 Da
  • ChemSpider ID57267127

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-Amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy(13C4)tetrahydro-2-furanyl](13C)methyl}sulfanyl)butanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-Amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy(13C4)tetrahydro-2-furanyl](13C)methyl}sulfanyl)butansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy(13C4)tétrahydro-2-furanyl](13C)méthyl}sulfanyl)butanoïque (non-preferred name) [French] [ACD/IUPAC Name]
Adenosine-1',2',3',4',5'-13C5, 5'-S-[(3S)-3-amino-3-carboxypropyl]-5'-thio- [ACD/Index Name]
S-(5'-ADENOSYL)-L-HOMOCYSTEINE-13C5

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.839
Molar Refractivity: 89.0±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 96.2±7.0 dyne/cm
Molar Volume: 201.0±7.0 cm3

Click to predict properties on the Chemicalize site


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