AA85628
16354-58-8 | (2S)-2-acetamido-3-hydroxypropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA85628
ChemicalName
(2S)-2-acetamido-3-hydroxypropanoic acid
CasNumber
16354-58-8
MolecularFormula
C5H9NO4
MolecularWeight
147.1293
MdlNumber
MFCD09952005
Smiles
OC[C@@H](C(=O)O)NC(=O)C
Complexity
145
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-1.2
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CatalogNumber: AA85628
ChemicalName: (2S)-2-acetamido-3-hydroxypropanoic acid
CasNumber: 16354-58-8
MolecularFormula: C5H9NO4
MolecularWeight: 147.1293
MdlNumber: MFCD09952005
Smiles: OC[C@@H](C(=O)O)NC(=O)C
Complexity: 145
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -1.2
CatalogNumber:
AA85628
ChemicalName:
(2S)-2-acetamido-3-hydroxypropanoic acid
CasNumber:
16354-58-8
MolecularFormula:
C5H9NO4
MolecularWeight:
147.1293
MdlNumber:
MFCD09952005
Smiles:
OC[C@@H](C(=O)O)NC(=O)C
Complexity:
145
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C/C=C/[C@@H]1O[C@@H](C[C@H]([C@@H]1C)O)[C@@H](/C=C/C=C(/C[C@H](/C=C(C=C[C@H]1CC=CC(=O)O1)/C)C)C)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
C/C=C/[C@@H]1O[C@@H](C[C@H]([C@@H]1C)O)[C@@H](/C=C/C=C(/C[C@H](/C=C(C=C[C@H]1CC=CC(=O)O1)/C)C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Brc1c[nH]c(c1)C(=O)OCC[n+]1cccc(c1)C(=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
Brc1c[nH]c(c1)C(=O)OCC[n+]1cccc(c1)C(=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=O)Oc1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)Oc1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__