Product Name

  • Name

    1,N(6)-etheno-2'-deoxyadenosine 5'-triphosphate

  • EINECS
  • CAS No. 81004-54-8
  • Density 2.42g/cm3
  • Solubility
  • Melting Point
  • Formula C12H16 N5 O12 P3
  • Boiling Point
  • Molecular Weight 515.24
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and POx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 81004-54-8 (1,N(6)-etheno-2'-deoxyadenosine 5'-triphosphate)
  • Hazard Symbols
  • Synonyms 1,N6-Ethenodeoxyadenosinetriphosphate
  • PSA 266.72000
  • LogP 0.07070

Etheno deoxyadenosine triphosphate Chemical Properties

IUPAC Name: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate 
Empirical Formula: C12H16N5O12P3
Molecular Weight: 515.203g/mol 
Index of Refraction: 1.883
Molar Refractivity: 97.66 cm3
Molar Volume: 212.7 cm3
Polarizability: 38.71×10-24cm3
Surface Tension: 167 dyne/cm
Density: 2.42 g/cm3 
Classification Code: Mutation data 
Canonical SMILES: C1C(C(OC1N2C=NC3=C2N=CN4C3=NC=C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN4C3=NC=C4)COP(=O)(O)OP(=O)(O)O(=O)(O)O)O
InChI: InChI=1S/C12H16N5O12P3/c18-7-3-9(17-6-14-10-11-13-1-2-16(11)5-15-12(10)17)27-8(7)4-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,5-9,18H,3-4H2,(H,22,23)(H,24,25)(H2,19,20,21)/t7-,8+,9+/m0/s1
InChIKey: OLJFCGDEGHURMU-DJLDLDEBSA-N
Structure of Etheno deoxyadenosine triphosphate (CAS NO.81004-54-8):

Etheno deoxyadenosine triphosphate Toxicity Data With Reference

1.    

cyt-mus-oth 75 µmol/L

     CRNGDP    Carcinogenesis. 11 (1990),571.
2.    

sce-mus-lym 50 µmol/L

     CNREA8    Cancer Research. 49 (1989),3839.
3.    

sce-mus-oth 75 µmol/L

     CRNGDP    Carcinogenesis. 11 (1990),571.

Etheno deoxyadenosine triphosphate Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and POx.

Etheno deoxyadenosine triphosphate Specification

  Etheno deoxyadenosine triphosphate , its cas register number is 81004-54-8. It also can be called 1,N(sup 6)-Ethenodeoxyadenosine triphosphate .When heated to decomposition it emits toxic vapors of NOx and POx.

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