ChemSpider 2D Image | 5'-O-[{[(2S)-2-Amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine | C14H20N7O10P

5'-O-[{[(2S)-2-Amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC14H20N7O10P
  • Average mass477.323 Da
  • Monoisotopic mass477.100922 Da
  • ChemSpider ID25058936
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

5'-O-[(R)-{[(2s)-2-Amino-4-(Hydroxyamino)-4-Oxobutanoyl]oxy}(Hydroxy)phosphoryl]adenosine
5'-O-[{[(2S)-2-Amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[(2S)-2-Amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[(2S)-2-Amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[(2S)-2-amino-4-(hydroxyamino)-1,4-dioxobutoxy]hydroxyphosphinyl]- [ACD/Index Name]
NB8

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.847
Molar Refractivity: 96.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.01
ACD/LogD (pH 5.5): -6.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 128.0±7.0 dyne/cm
Molar Volume: 216.3±7.0 cm3

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