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Properties of acetylpyridine adenine dinucleotide

Thermophysical properties for acetylpyridine adenine dinucleotide (CAS: 86-08-8). Use the selector below to view properties in different unit systems.

Calculation Conditions

The following state-dependent properties were calculated at these standard conditions.

Temperature

25 °C

Pressure

1.01325 bar

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Identification

  • Atoms
    C: 22, H: 28, N: 6, O: 14, P: 2
  • CAS
    86-08-8
  • Formula
    C22H28N6O14P2
  • ID
    86-08-8
  • InChI
    C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
  • InChI Key
    KPVQNXLUPNWQHM-RBEMOOQDSA-N
  • IUPAC Name
    [(2r,3s,4r,5r)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
  • Molecular Weight (kg)
    662.437
  • Phase
  • PubChem ID
    1.2393e+5
  • SMILES
    CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
  • Synonyms

Physical Properties

  • Acentric factor
  • Critical pressure (bar)
    0
  • Critical temperature (°C)
    -273.15
  • Critical volume (m³/kmol)
    0
  • Dipole moment
  • Melting temperature (°C)
    -273.15
  • Normal boiling temperature (°C)
    -273.15

State-dependent Properties

  • Compressibility factor
  • Density (kg/m³)
  • Dynamic viscosity (cP)
    0
  • Enthalpy of vaporization (mass) (kJ)
    0
  • Enthalpy of vaporization (molar) (kJ/kmol)
  • Joule–Thomson coefficient
  • Kinematic viscosity
  • Molar enthalpy (kJ/kmol)
  • Molar heat capacity (kJ/(kmol·K))
  • Molar volume (m³/kmol)
    0
  • Parachor
  • Poynting correction factor
  • Prandtl number
  • Saturation pressure (bar)
    0
  • Solubility parameter
  • Specific gravity
  • Specific heat capacity (kJ/kg·K)
    0
  • Surface tension
  • Thermal conductivity
  • Thermal diffusivity

Safety Properties

  • Autoignition temperature (°C)
    -273.15
  • Flash point temperature (°C)
    -273.15
  • Lower flammability limit
    0.00520242
  • Upper flammability limit
    0.0331063

Environmental Properties

  • Global warming potential
  • Ozone depletion potential

Failed Properties:

  • API gravityFailed
  • Gibbs free energy (kJ/kmol)Failed
  • Molar entropy (kJ/(kmol·K))Failed
  • Saturation temperature (°C)Failed
  • Specific enthalpy (kJ)Failed
  • Specific entropy (kJ/kg·K)Failed