ChemSpider 2D Image | (2R,3R,4R,5R)-2-(6-{[2-({9-[(2R,3R,4R,5R)-3-Acetoxy-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)ethyl]amino}-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl ami noacetate | C26H33N11O10

(2R,3R,4R,5R)-2-(6-{[2-({9-[(2R,3R,4R,5R)-3-Acetoxy-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)ethyl]amino}-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl ami noacetate

  • Molecular FormulaC26H33N11O10
  • Average mass659.608 Da
  • Monoisotopic mass659.241211 Da
  • ChemSpider ID168795

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4R,5R)-2-(6-{[2-({9-[(2R,3R,4R,5R)-3-Acetoxy-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)ethyl]amino}-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl ami noacetate [ACD/IUPAC Name]
(2R,3R,4R,5R)-2-(6-{[2-({9-[(2R,3R,4R,5R)-3-Acetoxy-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}amino)ethyl]amino}-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro-3-furanyl-ami noacetat [German] [ACD/IUPAC Name]
Aminoacétate de (2R,3R,4R,5R)-2-(6-{[2-({9-[(2R,3R,4R,5R)-3-acétoxy-4-hydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-9H-purin-6-yl}amino)éthyl]amino}-9H-purin-9-yl)-4-hydroxy-5-(hydroxyméthyl)tétrahyd ro-3-furanyle [French] [ACD/IUPAC Name]
(2)'(3')-O-Acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane
2'(3')-O-Acetyl-2"-(3")-O-glycyl-1,2-di(adenosine-N(6)-yl)ethane
73681-43-3 [RN]
Glycine, 2'(or 3')-ester with N-(2-((9-(2(or 3)-O-acetyl-β-D-ribofuranosyl)-9H-purin-6-yl)amino)ethyl)adenosine
Oaogdae

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1039.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.3±3.0 kJ/mol
Flash Point: 582.7±37.1 °C
Index of Refraction: 1.837
Molar Refractivity: 151.8±0.5 cm3
#H bond acceptors: 21
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.42
Polar Surface Area: 289 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 92.6±7.0 dyne/cm
Molar Volume: 343.6±7.0 cm3

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