ChemSpider 2D Image | (5S)-5-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-N~6~-carbamimidoyl-L-lysine | C17H27N9O5

(5S)-5-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-N6-carbamimidoyl-L-lysine

  • Molecular FormulaC17H27N9O5
  • Average mass437.454 Da
  • Monoisotopic mass437.213501 Da
  • ChemSpider ID35035075

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S)-5-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-N6-carbamimidoyl-L-lysin [German] [ACD/IUPAC Name]
(5S)-5-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-N6-carbamimidoyl-L-lysine [ACD/IUPAC Name]
(5S)-5-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyl}-N6-carbamimidoyl-L-lysine [French] [ACD/IUPAC Name]
(5s)-5-{[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl}-N6-Carbamimidoyl-L-Lysine
37H

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

Density: 1.9±0.1 g/cm3
Boiling Point: 810.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 444.2±37.1 °C
Index of Refraction: 1.826
Molar Refractivity: 101.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.52
ACD/LogD (pH 5.5): -5.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 96.6±7.0 dyne/cm
Molar Volume: 232.9±7.0 cm3

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