AB75050
2177-63-1 | H-Asp(OBzl)-OH
Manufacturer: A2B Chem
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CatalogNumber
AB75050
ChemicalName
H-Asp(OBzl)-OH
CasNumber
2177-63-1
MolecularFormula
C11H13NO4
MolecularWeight
223.22522
MdlNumber
MFCD00037208
Smiles
N[C@H](C(=O)O)CC(=O)OCc1ccccc1
Complexity
248
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
-2
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CatalogNumber: AB75050
ChemicalName: H-Asp(OBzl)-OH
CasNumber: 2177-63-1
MolecularFormula: C11H13NO4
MolecularWeight: 223.22522
MdlNumber: MFCD00037208
Smiles: N[C@H](C(=O)O)CC(=O)OCc1ccccc1
Complexity: 248
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: -2
CatalogNumber:
AB75050
ChemicalName:
H-Asp(OBzl)-OH
CasNumber:
2177-63-1
MolecularFormula:
C11H13NO4
MolecularWeight:
223.22522
MdlNumber:
MFCD00037208
Smiles:
N[C@H](C(=O)O)CC(=O)OCc1ccccc1
Complexity:
248
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
-2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H](C(=O)O)CC(=O)OC1CCCCC1
Complexity: 236
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](C(=O)O)CC(=O)OC1CCCCC1
Complexity:
236
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C[C@@H](C(=O)OC)N.Cl
Complexity: 157
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C[C@@H](C(=O)OC)N.Cl
Complexity:
157
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)C[C@@H](C(=O)[O-])N.[O-]C(=O)C[C@@H](C(=O)[O-])N.OC(=O)C[C@@H](C(=O)O)N.OC(=O)C[C@@H](C(=O)O)N.[Mg+2].[K+].[K+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)C[C@@H](C(=O)[O-])N.[O-]C(=O)C[C@@H](C(=O)[O-])N.OC(=O)C[C@@H](C(=O)O)N.OC(=O)C[C@@H](C(=O)O)N.[Mg+2].[K+].[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__