ChemSpider 2D Image | (2S,3S,4R,5R)-5-(6-Amino-7,8-dihydro-9H-purin-9-yl)-3-[(2-amino-3-methylpentanoyl)amino]-4-hydroxytetrahydro-2-furancarboxylic acid (non-preferred name) | C16H25N7O5

(2S,3S,4R,5R)-5-(6-Amino-7,8-dihydro-9H-purin-9-yl)-3-[(2-amino-3-methylpentanoyl)amino]-4-hydroxytetrahydro-2-furancarboxylic acid (non-preferred name)

  • Molecular FormulaC16H25N7O5
  • Average mass395.414 Da
  • Monoisotopic mass395.191711 Da
  • ChemSpider ID114551056

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2S,3S,4R,5R)-5-(6-Amino-7,8-dihydro-9H-purin-9-yl)-3-[(2-amino-3-methylpentanoyl)amino]-4-hydroxytetrahydro-2-furancarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-Amino-7,8-dihydro-9H-purin-9-yl)-3-[(2-amino-3-methylpentanoyl)amino]-4-hydroxytetrahydro-2-furancarboxylic acid (non-preferred name) [ACD/IUPAC Name]
7H-Purin-6-amine, 9-[3-[(2-amino-3-methyl-1-oxopentyl)amino]-3-deoxy-β-D-ribofuranuronosyl]-8,9-dihydro- [ACD/Index Name]
Acide (2S,3S,4R,5R)-5-(6-amino-7,8-dihydro-9H-purin-9-yl)-3-[(2-amino-3-méthylpentanoyl)amino]-4-hydroxytétrahydro-2-furanecarboxylique (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 802.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 438.9±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 91.7±5.0 dyne/cm
Molar Volume: 261.1±5.0 cm3

Click to predict properties on the Chemicalize site


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