AA46952
132201-33-3 | N-Benzoyl-(2r,3s)-3-phenylisoserine
Manufacturer: A2B Chem
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CatalogNumber
AA46952
ChemicalName
N-Benzoyl-(2r,3s)-3-phenylisoserine
CasNumber
132201-33-3
MolecularFormula
C16H15NO4
MolecularWeight
285.2946
MdlNumber
MFCD00274633
Smiles
O=C(c1ccccc1)N[C@H]([C@H](C(=O)O)O)c1ccccc1
Complexity
359
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
1.7
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CatalogNumber: AA46952
ChemicalName: N-Benzoyl-(2r,3s)-3-phenylisoserine
CasNumber: 132201-33-3
MolecularFormula: C16H15NO4
MolecularWeight: 285.2946
MdlNumber: MFCD00274633
Smiles: O=C(c1ccccc1)N[C@H]([C@H](C(=O)O)O)c1ccccc1
Complexity: 359
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 1.7
CatalogNumber:
AA46952
ChemicalName:
N-Benzoyl-(2r,3s)-3-phenylisoserine
CasNumber:
132201-33-3
MolecularFormula:
C16H15NO4
MolecularWeight:
285.2946
MdlNumber:
MFCD00274633
Smiles:
O=C(c1ccccc1)N[C@H]([C@H](C(=O)O)O)c1ccccc1
Complexity:
359
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
1.7
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Smiles: N[C@H]([C@H](C(=O)O)O)c1ccccc1.Cl
Complexity: __
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Smiles:
N[C@H]([C@H](C(=O)O)O)c1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(=O)C(C(C)(C)C)C(=O)C
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Smiles:
CC(=O)C(C(C)(C)C)C(=O)C
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(=O)C1CN(C)CCC1=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CN(C)CCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__