AB46390
1113-41-3 | L-Penicillamine
Manufacturer: A2B Chem
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CatalogNumber
AB46390
ChemicalName
L-Penicillamine
CasNumber
1113-41-3
MolecularFormula
C5H11NO2S
MolecularWeight
149.2113
MdlNumber
MFCD00064303
Smiles
N[C@@H](C(S)(C)C)C(=O)O
NscNumber
757265
Complexity
124
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-1.8
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CatalogNumber: AB46390
ChemicalName: L-Penicillamine
CasNumber: 1113-41-3
MolecularFormula: C5H11NO2S
MolecularWeight: 149.2113
MdlNumber: MFCD00064303
Smiles: N[C@@H](C(S)(C)C)C(=O)O
NscNumber: 757265
Complexity: 124
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -1.8
CatalogNumber:
AB46390
ChemicalName:
L-Penicillamine
CasNumber:
1113-41-3
MolecularFormula:
C5H11NO2S
MolecularWeight:
149.2113
MdlNumber:
MFCD00064303
Smiles:
N[C@@H](C(S)(C)C)C(=O)O
NscNumber:
757265
Complexity:
124
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H](Cc1ccccc1)N
NscNumber: __
Complexity: 99.7
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H](Cc1ccccc1)N
NscNumber:
__
Complexity:
99.7
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(CO)N.Cl
NscNumber: __
Complexity: 83.4
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(CO)N.Cl
NscNumber:
__
Complexity:
83.4
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__