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Chemical Product CAS:100844-62-0Adenosine5'-(trihydrogen diphosphate),N-[2-[[6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]hexyl]amino]-2-oxoethyl]-,[3aS-(3aa,4b,6aa)]- (9CI)

Adenosine5'-(trihydrogen diphosphate),N-[2-[[6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]hexyl]amino]-2-oxoethyl]-,[3aS-(3aa,4b,6aa)]- (9CI)

  • CAS No:

  • Name:

    Adenosine5'-(trihydrogen diphosphate),N-[2-[[6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]hexyl]amino]-2-oxoethyl]-,[3aS-(3aa,4b,6aa)]- (9CI)
  • Molecular Formula:

    C28H45 N9 O13 P2 S
  • Molecular Weight:

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Adenosine5'-(trihydrogen diphosphate),N-[2-[[ ( CASNO:100844-62-0 )

Identification and Related Records
Adenosine5'-(trihydrogen diphosphate),N-[2-[[6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]hexyl]amino]-2-oxoethyl]-,[3aS-(3aa,4b,6aa)]- (9CI)
CAS Registry number:
Iupac name:
oxolan-2-yl]methyl phosphono hydrogen phosphate
1H-Thieno[3,4-d]imidazole,adenosine 5'-(trihydrogen diphosphate) deriv.
Molecular Formula:
C28H45 N9 O13 P2 S
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
Boiling Point:
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:809.721922 [g/mol]
Molecular Formula:C28H45N9O13P2S
H-Bond Donor:10
H-Bond Acceptor:14
Rotatable Bond Count:21
Tautomer Count:36
Exact Mass:809.233276
MonoIsotopic Mass:809.233276
Topological Polar Surface Area:343
Heavy Atom Count:53
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
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