ChemSpider 2D Image | 2-Amino-4-({[(2S,3S,4R)-5-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butanoic acid | C14H20N6O5S

2-Amino-4-({[(2S,3S,4R)-5-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butanoic acid

  • Molecular FormulaC14H20N6O5S
  • Average mass384.411 Da
  • Monoisotopic mass384.121582 Da
  • ChemSpider ID24656628

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-Amino-4-({[(2S,3S,4R)-5-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butanoic acid [ACD/IUPAC Name]
2-Amino-4-({[(2S,3S,4R)-5-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butansäure [German] [ACD/IUPAC Name]
Acide 2-amino-4-({[(2S,3S,4R)-5-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyl}sulfanyl)butanoïque [French] [ACD/IUPAC Name]
D-Ribitol, 5-S-(3-amino-3-carboxypropyl)-1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-thio-, (1ξ)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 811.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 444.8±34.3 °C
Index of Refraction: 1.752
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -3.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 106.6±3.0 dyne/cm
Molar Volume: 232.0±3.0 cm3

Click to predict properties on the Chemicalize site


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