Found 1 result

Search term: NRENXKKIFBHNMB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-Amino-9-[(2R,3R,4R,5R)-3-({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}methoxy)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-3,9-dihydro-
6H-purin-6-one | C21H26N10O10

2-Amino-9-[(2R,3R,4R,5R)-3-({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}methoxy)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-3,9-dihydro- 6H-purin-6-one

  • Molecular FormulaC21H26N10O10
  • Average mass578.492 Da
  • Monoisotopic mass578.183350 Da
  • ChemSpider ID416539
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

2-Amino-9-[(2R,3R,4R,5R)-3-({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}methoxy)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-3,9-dihydro- 6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[(2R,3R,4R,5R)-3-({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}methoxy)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-3,9-dihydro- 6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[(2R,3R,4R,5R)-3-({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}méthoxy)-4-hydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-3,9-dihydro- 6H-purin-6-one [French] [ACD/IUPAC Name]
2-Amino-9-[3-({[5-(2-amino-6-oxohydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}methoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]hydropurin-6-one
rGrG(2'-5'-formacetal)

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

AIDS082154 [DBID]
AIDS-082154 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 1154.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 178.5±3.0 kJ/mol
Flash Point: 651.9±37.1 °C
Index of Refraction: 1.986
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.14
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.17
Polar Surface Area: 288 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 128.7±7.0 dyne/cm
Molar Volume: 251.8±7.0 cm3

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