ChemSpider 2D Image | (2R)-2-({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)succinic acid (non-preferred name) | C14H17N5O8

(2R)-2-({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)succinic acid (non-preferred name)

  • Molecular FormulaC14H17N5O8
  • Average mass383.314 Da
  • Monoisotopic mass383.107727 Da
  • ChemSpider ID76920521

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-2-({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)bernsteinsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R)-2-({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)succinic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2R)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-9H-purin-6-yl}amino)succinique (non-preferred name) [French] [ACD/IUPAC Name]
Adenosine, N-[(1R)-1,2-dicarboxyethyl]- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 816.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 447.6±37.1 °C
Index of Refraction: 1.826
Molar Refractivity: 82.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -3.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 102.3±7.0 dyne/cm
Molar Volume: 189.5±7.0 cm3

Click to predict properties on the Chemicalize site


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