ChemSpider 2D Image | 5'-O-[(R)-{[(2S)-2-Amino-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoyl]oxy}(hydroxy)phosphoryl]adenosine | C21H34N7O10P

5'-O-[(R)-{[(2S)-2-Amino-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoyl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC21H34N7O10P
  • Average mass575.509 Da
  • Monoisotopic mass575.210449 Da
  • ChemSpider ID35035730
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
5'-O-[(R)-{[(2S)-2-Amino-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoyl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(R)-{[(2S)-2-Amino-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoyl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(R)-{[(2S)-2-Amino-6-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)hexanoyl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(R)-[[(2S)-2-amino-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxohexyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
[[(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl](2s)-2-Azanyl-6-[(2-Methylpropan-2-Yl)oxycarbonylamino]hexanoate
BLK

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 129.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 75.5±7.0 dyne/cm
Molar Volume: 340.5±7.0 cm3

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