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Basic information
- CAS
81790-82-1- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@H]1O- InChIKey
AWJJLYZBWRIBCZ-UGTJMOTHSA-N- Molecular formula
- C24H24N5O15P3
- Average molar mass
- 715.398 g/mol
- Monoisotopic mass
- 715.04817496
Names & identifiers
- Preferred name
- 9-[3-O-(4-Benzoylbenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine
- IUPAC
- 3'-O-(4-Benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate)
- English name
- 3'-O-(4-benzoyl)benzoyladenosine 5'-triphosphate
- Molecular formula
- C24H24N5O15P3
- Molecular weight
- 715.39
Names & synonyms
BzATPbbATP4-Benzoylbenzoyl-ATP3'-O-(4-Benzoylbenzoyl)ATP3'-O-(4-Benzoylbenzoyl)-ATPphenol, 4,4'-thiobis[3-dodecyl-(2R,3R,4S,5R)-5-(6-aMino-9H-purin-93'-O-(4-benzoyl)benzoyladenosine 5'-triphosphate3'-O-(4-BENZOYL)BENZOYLADENOSINE 5'-TRIPHOSPHONATEAdenosine 3'-(4-benzoylbenzoate)5'-triphosphoric acid
Database identifiers
- CAS
81790-82-1- PubChem CID
- 115205
- DTXSID
DTXSID001002227- ChEMBL
CHEMBL2407634- ChEBI
CHEBI:34316- UNII
- 4P5DXU1F8Q
- Nikkaji
- J413.969K
Properties
Physicochemical properties
- Boiling point
- 1038 · 1038.0±75.0 °C(Predicted)
- Density
- 1.96 · 1.96±0.1 g/cm3(Predicted)
- pka
- 0.97 · 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
- FDA UNII
- 4 P5DXU1F8Q · 4P5DXU1F8Q
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers7 total
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
南京捷拜生物技术有限公司13338606537 · [email protected]
南京沛微生物科技有限公司025-57027729 15850702895 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
Additional notes
DefinitionChEBI: 3'-O-(4-Benzoyl)benzoyl ATP is a purine ribonucleoside triphosphate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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