ChemSpider 2D Image | 5'-O-[({5-[(3R)-1,2-Dithiolan-3-yl]pentanoyl}oxy)phosphinato]adenosine | C18H25N5O8PS2

5'-O-[({5-[(3R)-1,2-Dithiolan-3-yl]pentanoyl}oxy)phosphinato]adenosine

  • Molecular FormulaC18H25N5O8PS2
  • Average mass534.524 Da
  • Monoisotopic mass534.088745 Da
  • ChemSpider ID34448682

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-O-[({5-[(3R)-1,2-Dithiolan-3-yl]pentanoyl}oxy)phosphinato]adenosin [German] [ACD/IUPAC Name]
5'-O-[({5-[(3R)-1,2-Dithiolan-3-yl]pentanoyl}oxy)phosphinato]adenosine [ACD/IUPAC Name]
5'-O-[({5-[(3R)-1,2-Dithiolan-3-yl]pentanoyl}oxy)phosphinato]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[5-[(3R)-1,2-dithiolan-3-yl]-1-oxopentyl]oxy]hydroxyphosphinyl]-, ion(1-) [ACD/Index Name]
(lipoyl)adenylate
(R)-lipoyl-5'-AMP
(R)-lipoyl-AMP
(R)-lipoyl-AMP(1-)
lipoyl-adenylate
lipoyl-AMP
  • Miscellaneous

    • Chemical Class:

      A lipoyl-AMP(1-) obtained by deprotonation of the phosphate OH group of (R)-lipoyl-AMP; major species at pH 7.3. ChEBI CHEBI:83091

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

Density:
Boiling Point: 825.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 453.0±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability:
Surface Tension:
Molar Volume:

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