AI67528
1184-16-3 | Beta-nicotinamide adenine dinucleotide phosphate sodium salt hydrate
Manufacturer: A2B Chem
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CatalogNumber
AI67528
ChemicalName
Beta-nicotinamide adenine dinucleotide phosphate sodium salt hydrate
CasNumber
1184-16-3
MolecularFormula
C21H27N7NaO17P3
MolecularWeight
765.3868
MdlNumber
MFCD00036973
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+]
Complexity
1290
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
8
HeavyAtomCount
49
HydrogenBondAcceptorCount
21
HydrogenBondDonorCount
7
RotatableBondCount
13
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CatalogNumber: AI67528
ChemicalName: Beta-nicotinamide adenine dinucleotide phosphate sodium salt hydrate
CasNumber: 1184-16-3
MolecularFormula: C21H27N7NaO17P3
MolecularWeight: 765.3868
MdlNumber: MFCD00036973
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+]
Complexity: 1290
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 8
HeavyAtomCount: 49
HydrogenBondAcceptorCount: 21
HydrogenBondDonorCount: 7
RotatableBondCount: 13
CatalogNumber:
AI67528
ChemicalName:
Beta-nicotinamide adenine dinucleotide phosphate sodium salt hydrate
CasNumber:
1184-16-3
MolecularFormula:
C21H27N7NaO17P3
MolecularWeight:
765.3868
MdlNumber:
MFCD00036973
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+]
Complexity:
1290
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
8
HeavyAtomCount:
49
HydrogenBondAcceptorCount:
21
HydrogenBondDonorCount:
7
RotatableBondCount:
13
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [CH]CCCCC(=O)[N]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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MolecularFormula:
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Smiles:
[CH]CCCCC(=O)[N]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCC(=O)OCC.CCC=CCC=CCC=CCCCCCCCC(=O)OCC.CCCCCC=CCC=CCCCCCCCC(=O)OCC.CCCCCCCCC=CCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCCCC(=O)OCC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Smiles:
CCCCCCCCCCCCCCCC(=O)OCC.CCC=CCC=CCC=CCCCCCCCC(=O)OCC.CCCCCC=CCC=CCCCCCCCC(=O)OCC.CCCCCCCCC=CCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCCCC(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AI67531
ChemicalName: OrangeIV
CasNumber: 554-73-4
MolecularFormula: C18H14N3NaO3S
MolecularWeight: 375.3768
MdlNumber: MFCD00038130
Smiles: [O-]S(=O)(=O)c1ccc(cc1)/N=N/c1ccc(cc1)Nc1ccccc1.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AI67531
ChemicalName:
OrangeIV
CasNumber:
554-73-4
MolecularFormula:
C18H14N3NaO3S
MolecularWeight:
375.3768
MdlNumber:
MFCD00038130
Smiles:
[O-]S(=O)(=O)c1ccc(cc1)/N=N/c1ccc(cc1)Nc1ccccc1.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__