ChemSpider 2D Image | (2R,3S,4R,5R)-5-(6-{[2-({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)ethyl]amino}-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl (2S)-2-am ino-4-methylpentanoate | C28H39N11O9

(2R,3S,4R,5R)-5-(6-{[2-({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)ethyl]amino}-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl (2S)-2-am ino-4-methylpentanoate

  • Molecular FormulaC28H39N11O9
  • Average mass673.678 Da
  • Monoisotopic mass673.293213 Da
  • ChemSpider ID166476

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3S,4R,5R)-5-(6-{[2-({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)ethyl]amino}-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl (2S)-2-am ino-4-methylpentanoate [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(6-{[2-({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)ethyl]amino}-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl-(2S)-2-am ino-4-methylpentanoat [German] [ACD/IUPAC Name]
(2S)-2-Amino-4-méthylpentanoate de (2R,3S,4R,5R)-5-(6-{[2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-9H-purin-6-yl}amino)éthyl]amino}-9H-purin-9-yl)-4-hydroxy-2-(hydroxymé thyl)tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(6-{[2-({9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]PURIN-6-YL}AMINO)ETHYL]AMINO}PURIN-9-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL (2S)-2-AMINO-4-METHYLPENTANOATE
64542-53-6 [RN]
L-Leucine, 2'(or 3')-ester with N,N'-1,2-ethanediylbis(adenosine)

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1042.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.7±3.0 kJ/mol
Flash Point: 584.3±37.1 °C
Index of Refraction: 1.814
Molar Refractivity: 159.5±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.37
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.28
Polar Surface Area: 283 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 84.4±7.0 dyne/cm
Molar Volume: 368.4±7.0 cm3

Click to predict properties on the Chemicalize site


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