AI65734
987-65-5 | Adenosine 5'-triphosphate disodium salt
Manufacturer: A2B Chem
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CatalogNumber
AI65734
ChemicalName
Adenosine 5'-triphosphate disodium salt
CasNumber
987-65-5
MolecularFormula
C10H14N5Na2O13P3
MolecularWeight
551.1447
MdlNumber
MFCD00150755
Smiles
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[Na+].[Na+]
Complexity
789
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
4
HeavyAtomCount
33
HydrogenBondAcceptorCount
17
HydrogenBondDonorCount
5
RotatableBondCount
8
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CatalogNumber: AI65734
ChemicalName: Adenosine 5'-triphosphate disodium salt
CasNumber: 987-65-5
MolecularFormula: C10H14N5Na2O13P3
MolecularWeight: 551.1447
MdlNumber: MFCD00150755
Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[Na+].[Na+]
Complexity: 789
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 17
HydrogenBondDonorCount: 5
RotatableBondCount: 8
CatalogNumber:
AI65734
ChemicalName:
Adenosine 5'-triphosphate disodium salt
CasNumber:
987-65-5
MolecularFormula:
C10H14N5Na2O13P3
MolecularWeight:
551.1447
MdlNumber:
MFCD00150755
Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[Na+].[Na+]
Complexity:
789
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
17
HydrogenBondDonorCount:
5
RotatableBondCount:
8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(OP(=O)(OP(=O)(OCC[N+](C)(C)C)[O-])O)c(nc1=O)N
Complexity: __
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Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(OP(=O)(OP(=O)(OCC[N+](C)(C)C)[O-])O)c(nc1=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
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Smiles: OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)OCc1ccccc1
Complexity: __
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Smiles:
OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
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MolecularFormula: __
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Smiles: NC(C(=O)O)Cc1ccc(cc1)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(C(=O)O)Cc1ccc(cc1)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__