AB71715
66872-75-1 | 3-Methyl-2-oxovaleric acid calcium salt
Manufacturer: A2B Chem
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CatalogNumber
AB71715
ChemicalName
3-Methyl-2-oxovaleric acid calcium salt
CasNumber
66872-75-1
MolecularFormula
C12H18CaO6
MolecularWeight
298.3457199999999
MdlNumber
MFCD08273731
Smiles
[O-]C(=O)C(=O)C(CC)C.[O-]C(=O)C(=O)C(CC)C.[Ca+2]
Complexity
123
Covalently-bondedUnitCount
3
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
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CatalogNumber: AB71715
ChemicalName: 3-Methyl-2-oxovaleric acid calcium salt
CasNumber: 66872-75-1
MolecularFormula: C12H18CaO6
MolecularWeight: 298.3457199999999
MdlNumber: MFCD08273731
Smiles: [O-]C(=O)C(=O)C(CC)C.[O-]C(=O)C(=O)C(CC)C.[Ca+2]
Complexity: 123
Covalently-bondedUnitCount: 3
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
CatalogNumber:
AB71715
ChemicalName:
3-Methyl-2-oxovaleric acid calcium salt
CasNumber:
66872-75-1
MolecularFormula:
C12H18CaO6
MolecularWeight:
298.3457199999999
MdlNumber:
MFCD08273731
Smiles:
[O-]C(=O)C(=O)C(CC)C.[O-]C(=O)C(=O)C(CC)C.[Ca+2]
Complexity:
123
Covalently-bondedUnitCount:
3
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
CatalogNumber: AB71716
ChemicalName: 2-Ketoleucine calcium salt
CasNumber: 51828-95-6
MolecularFormula: C12H18CaO6
MolecularWeight: 298.3457
MdlNumber: MFCD31729227
Smiles: CC(CC(=O)C(=O)[O-])C.CC(CC(=O)C(=O)[O-])C.[Ca+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB71716
ChemicalName:
2-Ketoleucine calcium salt
CasNumber:
51828-95-6
MolecularFormula:
C12H18CaO6
MolecularWeight:
298.3457
MdlNumber:
MFCD31729227
Smiles:
CC(CC(=O)C(=O)[O-])C.CC(CC(=O)C(=O)[O-])C.[Ca+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=CC(=O)C)O[Ca]O/C(=CC(=O)C)/C.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CC(=O)C)O[Ca]O/C(=CC(=O)C)/C.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]([C@H]([C@H]2O)O)O)C(=O)[O-])[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@@H]1O)O)O)O)O.[Ca+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]([C@H]([C@H]2O)O)O)C(=O)[O-])[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@@H]1O)O)O)O)O.[Ca+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__