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Home> Encyclopedia > Hot Product Listed A   > Adenosine5'-(tetrahydrogen triphosphate), sodium salt (1:2)
987-65-5 structure

Adenosine5'-(tetrahydrogen triphosphate), sodium salt (1:2)

CAS No.:987-65-5
EINECS(EC#): 213-579-1
Molecular Weight:507.181023
Molecular Formula:C10H16N5O13P3 (isomer)
Names and Identifiers
Synonyms

Adenosine triphosphate disodiumsalt Adenosine5'-(tetrahydrogen triphosphate), disodium salt (8CI,9CI) Adetphos ATP disodium ATP disodiumsalt Disodium adenosine 5'-triphosphate Disodium adenosine-5'-triphosphoric acid Disodium ATP Disodiumadenosine triphosphate Disodiumdihydrogen ATP NSC 20268

Inchi
InChI=1/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
Properties
Appearance
Solid.
Density
2.63
Melting Point
188-190℃
Boiling Point
951.4°Cat760mmHg
Flash Point
951.4°Cat760mmHg
Solubility
water: 50 mg/mL
Stability
Stable under normal temperatures and pressures.
Storage temp
2-8°C
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S22;S24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

NMR Spectrum
Computational chemical data
  • Molecular Weight:507.181023g/mol
  • Molecular Formula:C10H16N5O13P3
  • XLogP3-AA:_5.7
  • Exact Mass:506.995745
  • Monoisotopic Mass:506.995745
  • Complexity:800
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:7
  • Hydrogen Bond Acceptor Count:13
  • Topological Polar Surface Area:279
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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  • Fax:+86-25-83208202
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  • Tel:86-571-87758773
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