AA40346
131-48-6 | N-Acetylneuramic acid
Manufacturer: A2B Chem
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CatalogNumber
AA40346
ChemicalName
N-Acetylneuramic acid
CasNumber
131-48-6
MolecularFormula
C11H19NO9
MolecularWeight
309.2699
MdlNumber
MFCD00006620
Smiles
OC[C@H]([C@H]([C@@H]1O[C@@](O)(C[C@@H]([C@H]1NC(=O)C)O)C(=O)O)O)O
Complexity
403
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
6
HeavyAtomCount
21
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
7
RotatableBondCount
5
Xlogp3
-3.5
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CatalogNumber: AA40346
ChemicalName: N-Acetylneuramic acid
CasNumber: 131-48-6
MolecularFormula: C11H19NO9
MolecularWeight: 309.2699
MdlNumber: MFCD00006620
Smiles: OC[C@H]([C@H]([C@@H]1O[C@@](O)(C[C@@H]([C@H]1NC(=O)C)O)C(=O)O)O)O
Complexity: 403
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 7
RotatableBondCount: 5
Xlogp3: -3.5
CatalogNumber:
AA40346
ChemicalName:
N-Acetylneuramic acid
CasNumber:
131-48-6
MolecularFormula:
C11H19NO9
MolecularWeight:
309.2699
MdlNumber:
MFCD00006620
Smiles:
OC[C@H]([C@H]([C@@H]1O[C@@](O)(C[C@@H]([C@H]1NC(=O)C)O)C(=O)O)O)O
Complexity:
403
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
7
RotatableBondCount:
5
Xlogp3:
-3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)n1nc2c(n1)c1ccccc1c(c2)S(=O)(=O)O
Complexity: __
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Smiles:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)n1nc2c(n1)c1ccccc1c(c2)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O
Complexity: __
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__
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Smiles:
Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Nc1ccc(c2c1cccc2)N=Nc1ccccc1
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1ccc(c2c1cccc2)N=Nc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__