ChemSpider 2D Image | (2S)-2-Amino-4-({[(2S,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy(4-~3~H)tetrahydro-2-furanyl]methyl}sulfanyl)(4-~3~H_1_)butanoic acid | C14H18T2N6O5S

(2S)-2-Amino-4-({[(2S,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy(4-3H)tetrahydro-2-furanyl]methyl}sulfanyl)(4-3H1)butanoic acid

  • Molecular FormulaC14H18T2N6O5S
  • Average mass388.427 Da
  • Monoisotopic mass388.138031 Da
  • ChemSpider ID9615496

  • 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,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy(4-3H)tetrahydro-2-furanyl]methyl}sulfanyl)(4-3H1)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-({[(2S,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy(4-3H)tetrahydro-2-furanyl]methyl}sulfanyl)(4-3H1)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-({[(2S,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy(4-3H)tétrahydro-2-furanyl]méthyl}sulfanyl)(4-3H1)butanoïque [French] [ACD/IUPAC Name]

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: 208 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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