AI53506
606-68-8 | Beta-nicotinamide adenine dinucleotide disodium salt hydrate, reduced form
Manufacturer: A2B Chem
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CatalogNumber
AI53506
ChemicalName
Beta-nicotinamide adenine dinucleotide disodium salt hydrate, reduced form
CasNumber
606-68-8
MolecularFormula
C21H27N7Na2O14P2
MolecularWeight
709.4046420000002
MdlNumber
MFCD03791273
Smiles
O[C@@H]1[C@H](O)[C@H](O[C@H]1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)[O-])[O-].[Na+].[Na+]
Complexity
1210
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
8
HeavyAtomCount
46
HydrogenBondAcceptorCount
19
HydrogenBondDonorCount
6
RotatableBondCount
11
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CatalogNumber: AI53506
ChemicalName: Beta-nicotinamide adenine dinucleotide disodium salt hydrate, reduced form
CasNumber: 606-68-8
MolecularFormula: C21H27N7Na2O14P2
MolecularWeight: 709.4046420000002
MdlNumber: MFCD03791273
Smiles: O[C@@H]1[C@H](O)[C@H](O[C@H]1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)[O-])[O-].[Na+].[Na+]
Complexity: 1210
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 8
HeavyAtomCount: 46
HydrogenBondAcceptorCount: 19
HydrogenBondDonorCount: 6
RotatableBondCount: 11
CatalogNumber:
AI53506
ChemicalName:
Beta-nicotinamide adenine dinucleotide disodium salt hydrate, reduced form
CasNumber:
606-68-8
MolecularFormula:
C21H27N7Na2O14P2
MolecularWeight:
709.4046420000002
MdlNumber:
MFCD03791273
Smiles:
O[C@@H]1[C@H](O)[C@H](O[C@H]1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)[O-])[O-].[Na+].[Na+]
Complexity:
1210
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
8
HeavyAtomCount:
46
HydrogenBondAcceptorCount:
19
HydrogenBondDonorCount:
6
RotatableBondCount:
11
CatalogNumber: __
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Smiles: OC(=O)C=C(c1ccccc1)c1ccccc1
Complexity: __
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Smiles:
OC(=O)C=C(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1ccc2c(c1)cnc(=O)[nH]2
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Smiles:
Clc1ccc2c(c1)cnc(=O)[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1ncc2c([nH]1)c(Cl)ccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1ncc2c([nH]1)c(Cl)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__