AB79015
81012-87-5 | CTP Disodium Dihydrate
Manufacturer: A2B Chem
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CatalogNumber
AB79015
ChemicalName
CTP Disodium Dihydrate
CasNumber
81012-87-5
MolecularFormula
C9H18N3Na2O16P3
MolecularWeight
563.1505
MdlNumber
MFCD00047493
Smiles
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])O)O[C@H]([C@@H]1O)n1ccc(nc1=O)N.[Na+].[Na+].O.O
Complexity
844
Covalently-bondedUnitCount
5
DefinedAtomStereocenterCount
4
HeavyAtomCount
33
HydrogenBondAcceptorCount
16
HydrogenBondDonorCount
7
RotatableBondCount
8
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CatalogNumber: AB79015
ChemicalName: CTP Disodium Dihydrate
CasNumber: 81012-87-5
MolecularFormula: C9H18N3Na2O16P3
MolecularWeight: 563.1505
MdlNumber: MFCD00047493
Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])O)O[C@H]([C@@H]1O)n1ccc(nc1=O)N.[Na+].[Na+].O.O
Complexity: 844
Covalently-bondedUnitCount: 5
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 7
RotatableBondCount: 8
CatalogNumber:
AB79015
ChemicalName:
CTP Disodium Dihydrate
CasNumber:
81012-87-5
MolecularFormula:
C9H18N3Na2O16P3
MolecularWeight:
563.1505
MdlNumber:
MFCD00047493
Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])O)O[C@H]([C@@H]1O)n1ccc(nc1=O)N.[Na+].[Na+].O.O
Complexity:
844
Covalently-bondedUnitCount:
5
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
7
RotatableBondCount:
8
CatalogNumber: __
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Smiles: [O-]C(=O)COc1ccccc1C(=O)N.[Na+]
Complexity: __
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Smiles:
[O-]C(=O)COc1ccccc1C(=O)N.[Na+]
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: O=C1CC2C(C1(CC2)CS(=O)(=O)[O-])(C)C.[Na+]
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Smiles:
O=C1CC2C(C1(CC2)CS(=O)(=O)[O-])(C)C.[Na+]
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O[B-](c1ccccc1)(O)O.[Na+]
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O[B-](c1ccccc1)(O)O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__