ChemSpider 2D Image | 5'-O-[(S)-({(2R)-2-Amino-6-[(2E)-2-butenoylamino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine | C20H30N7O9P

5'-O-[(S)-({(2R)-2-Amino-6-[(2E)-2-butenoylamino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC20H30N7O9P
  • Average mass543.468 Da
  • Monoisotopic mass543.184265 Da
  • ChemSpider ID35034681
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

5'-O-[(S)-({(2R)-2-Amino-6-[(2E)-2-butenoylamino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(S)-({(2R)-2-Amino-6-[(2E)-2-butenoylamino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(S)-({(2R)-2-Amino-6-[(2E)-2-butenoylamino]hexanoyl}oxy)(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(S)-[[(2R)-2-amino-1-oxo-6-[[(2E)-1-oxo-2-buten-1-yl]amino]hexyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
5'-O-[({(2r)-2-Amino-6-[(2e)-But-2-Enoylamino]hexanoyl}oxy)phosphinato]adenosine
YLC

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: 1.711
Molar Refractivity: 123.0±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -4.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 81.9±7.0 dyne/cm
Molar Volume: 314.4±7.0 cm3

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