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81790-82-1

81790-82-1 Structure

81790-82-1 Structure
IdentificationBack Directory
[Name]

3'-O-(4-benzoyl)benzoyladenosine 5'-triphosphate
[CAS]

81790-82-1
[Synonyms]

bbATP
BzATP
4-Benzoylbenzoyl-ATP
3'-O-(4-Benzoylbenzoyl)ATP
3'-O-(4-Benzoylbenzoyl)-ATP
phenol, 4,4'-thiobis[3-dodecyl-
(2R,3R,4S,5R)-5-(6-aMino-9H-purin-9
3'-O-(4-benzoyl)benzoyladenosine 5'-triphosphate
Adenosine 3'-(4-benzoylbenzoate)5'-triphosphoric acid
3'-O-(4-Benzoylbenzoyl)adenosine 5'-triphosphoric acid
Adenosine 5'-(tetrahydrogen triphosphate) 3'-(4-benzoylbenzoate)
(2R,3R,4S,5R)-5-(6-aMino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)oxy)Methyl)tetrahydrofuran-3-yl 4-benzoylbenzoate
(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)oxy)methyl)tetrahydrofuran-3-yl 4-benzoylbenzoate
[Molecular Formula]

C24H24N5O15P3
[MDL Number]

MFCD32901294
[MOL File]

81790-82-1.mol
[Molecular Weight]

715.39
Chemical PropertiesBack Directory
[Boiling point ]

1038.0±75.0 °C(Predicted)
[density ]

1.96±0.1 g/cm3(Predicted)
[pka]

0.97±0.50(Predicted)
[InChIKey]

AWJJLYZBWRIBCZ-UGTJMOTHSA-N
[SMILES]

C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)[C@H](O)[C@@H]1OC(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Definition]

ChEBI: 3'-O-(4-Benzoyl)benzoyl ATP is a purine ribonucleoside triphosphate.
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