AB74990
617-55-0 | L-(-)-Malic acid dimethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB74990
ChemicalName
L-(-)-Malic acid dimethyl ester
CasNumber
617-55-0
MolecularFormula
C6H10O5
MolecularWeight
162.1406
MdlNumber
MFCD00066215
Smiles
COC(=O)C[C@@H](C(=O)OC)O
Complexity
153
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
-0.7
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CatalogNumber: AB74990
ChemicalName: L-(-)-Malic acid dimethyl ester
CasNumber: 617-55-0
MolecularFormula: C6H10O5
MolecularWeight: 162.1406
MdlNumber: MFCD00066215
Smiles: COC(=O)C[C@@H](C(=O)OC)O
Complexity: 153
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: -0.7
CatalogNumber:
AB74990
ChemicalName:
L-(-)-Malic acid dimethyl ester
CasNumber:
617-55-0
MolecularFormula:
C6H10O5
MolecularWeight:
162.1406
MdlNumber:
MFCD00066215
Smiles:
COC(=O)C[C@@H](C(=O)OC)O
Complexity:
153
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
-0.7
CatalogNumber: AB74991
ChemicalName: (1R)-(-)-Camphor-10-sulfonic acid
CasNumber: 35963-20-3
MolecularFormula: C10H16O4S
MolecularWeight: 232.2966
MdlNumber: MFCD00064158
Smiles: O=C1C[C@H]2C([C@@]1(CC2)CS(=O)(=O)O)(C)C
Complexity: 404
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB74991
ChemicalName:
(1R)-(-)-Camphor-10-sulfonic acid
CasNumber:
35963-20-3
MolecularFormula:
C10H16O4S
MolecularWeight:
232.2966
MdlNumber:
MFCD00064158
Smiles:
O=C1C[C@H]2C([C@@]1(CC2)CS(=O)(=O)O)(C)C
Complexity:
404
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@@H](C(=O)O)O
Complexity: 129
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@@H](C(=O)O)O
Complexity:
129
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.3