AI45664
24292-60-2 | Triphosphopyridine nucleotide disodium salt
Manufacturer: A2B Chem
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CatalogNumber
AI45664
ChemicalName
Triphosphopyridine nucleotide disodium salt
CasNumber
24292-60-2
MolecularFormula
C21H26N7Na2O17P3
MolecularWeight
787.3686630000002
MdlNumber
MFCD00065390
Smiles
O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])n1cnc2c1ncnc2N)O)[O-].[Na+].[Na+]
Complexity
1280
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
8
HeavyAtomCount
50
HydrogenBondAcceptorCount
21
HydrogenBondDonorCount
6
RotatableBondCount
12
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CatalogNumber: AI45664
ChemicalName: Triphosphopyridine nucleotide disodium salt
CasNumber: 24292-60-2
MolecularFormula: C21H26N7Na2O17P3
MolecularWeight: 787.3686630000002
MdlNumber: MFCD00065390
Smiles: O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])n1cnc2c1ncnc2N)O)[O-].[Na+].[Na+]
Complexity: 1280
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 8
HeavyAtomCount: 50
HydrogenBondAcceptorCount: 21
HydrogenBondDonorCount: 6
RotatableBondCount: 12
CatalogNumber:
AI45664
ChemicalName:
Triphosphopyridine nucleotide disodium salt
CasNumber:
24292-60-2
MolecularFormula:
C21H26N7Na2O17P3
MolecularWeight:
787.3686630000002
MdlNumber:
MFCD00065390
Smiles:
O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])n1cnc2c1ncnc2N)O)[O-].[Na+].[Na+]
Complexity:
1280
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
8
HeavyAtomCount:
50
HydrogenBondAcceptorCount:
21
HydrogenBondDonorCount:
6
RotatableBondCount:
12
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Smiles: COC(=O)CCN1CCCC1=O
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Smiles:
COC(=O)CCN1CCCC1=O
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Smiles: Cc1nc(C)c(c(n1)C)Cl
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Smiles:
Cc1nc(C)c(c(n1)C)Cl
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Smiles: CCN(CC)C(=O)C1=C(C=C(C=C1)Cl)Cl
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCN(CC)C(=O)C1=C(C=C(C=C1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__