AB71722
4857-44-7 | Calcium bis(2-hydroxy-4-(methylthio)butyrate)
Manufacturer: A2B Chem
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CatalogNumber
AB71722
ChemicalName
Calcium bis(2-hydroxy-4-(methylthio)butyrate)
CasNumber
4857-44-7
MolecularFormula
C10H18CaO6S2
MolecularWeight
338.4543
MdlNumber
MFCD00042725
Smiles
[O-]C(=O)C(CCSC)O.[O-]C(=O)C(CCSC)O.[Ca+2]
Complexity
88.7
Covalently-bondedUnitCount
3
HeavyAtomCount
19
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
2
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CatalogNumber: AB71722
ChemicalName: Calcium bis(2-hydroxy-4-(methylthio)butyrate)
CasNumber: 4857-44-7
MolecularFormula: C10H18CaO6S2
MolecularWeight: 338.4543
MdlNumber: MFCD00042725
Smiles: [O-]C(=O)C(CCSC)O.[O-]C(=O)C(CCSC)O.[Ca+2]
Complexity: 88.7
Covalently-bondedUnitCount: 3
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 2
CatalogNumber:
AB71722
ChemicalName:
Calcium bis(2-hydroxy-4-(methylthio)butyrate)
CasNumber:
4857-44-7
MolecularFormula:
C10H18CaO6S2
MolecularWeight:
338.4543
MdlNumber:
MFCD00042725
Smiles:
[O-]C(=O)C(CCSC)O.[O-]C(=O)C(CCSC)O.[Ca+2]
Complexity:
88.7
Covalently-bondedUnitCount:
3
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: [Ca+2].[BH4-].[BH4-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
[Ca+2].[BH4-].[BH4-]
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: [Ca+2].[Br-].[Br-].O
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MdlNumber:
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Smiles:
[Ca+2].[Br-].[Br-].O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: Br[Ca]Br
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ChemicalName:
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CasNumber:
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Smiles:
Br[Ca]Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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