ChemSpider 2D Image | S-Adenosylhomocysteine-d4 | C14H16D4N6O5S

S-Adenosylhomocysteine-d4

  • Molecular FormulaC14H16D4N6O5S
  • Average mass388.435 Da
  • Monoisotopic mass388.146698 Da
  • ChemSpider ID29342256

  • 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-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)(3,3,4,4-2H4)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)(3,3,4,4-2H4)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyl}sulfanyl)(3,3,4,4-2H4)butanoïque [French] [ACD/IUPAC Name]
Adenosine, 5'-S-[(3S)-3-amino-3-carboxypropyl-1,1,2,2-d4]-5'-thio- [ACD/Index Name]
S-Adenosylhomocysteine-d4
S-(5?-deoxyadenosin-5?-yl)-L-homocysteine-d4
S-(5’-deoxyadenosin-5’-yl)-L-homocysteine-d4
S-(5Õ-deoxyadenosin-5Õ-yl)-L-homocysteine-d4

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

Density: 1.9±0.1 g/cm3
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: 1.839
Molar Refractivity: 89.0±0.5 cm3
#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: 208 Å2
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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