Found 1 result

Search term: InChIKey=CKYYHBNGEDJKKW-DGTGAXRRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}carbamoyl)amino]-3-hydroxypentanoic acid (non-preferred name) | C16H22N6O8

2-[({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}carbamoyl)amino]-3-hydroxypentanoic acid (non-preferred name)

  • Molecular FormulaC16H22N6O8
  • Average mass426.381 Da
  • Monoisotopic mass426.149902 Da
  • ChemSpider ID107449060

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

2-[({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}carbamoyl)amino]-3-hydroxypentanoic acid (non-preferred name) [ACD/IUPAC Name]
2-[({9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}carbamoyl)amino]-3-hydroxypentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide 2-[({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-9H-purin-6-yl}carbamoyl)amino]-3-hydroxypentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
146426-20-2 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.785
Molar Refractivity: 95.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -4.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 88.9±7.0 dyne/cm
Molar Volume: 225.4±7.0 cm3

Click to predict properties on the Chemicalize site


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