AB50268
14215-68-0 | N-Acetyl-D-galactosamine
Manufacturer: A2B Chem
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CatalogNumber
AB50268
ChemicalName
N-Acetyl-D-galactosamine
CasNumber
14215-68-0
MolecularFormula
C8H15NO6
MolecularWeight
221.2078
MdlNumber
MFCD00065372
Smiles
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)NC(=O)C
Complexity
235
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
5
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-1.7
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CatalogNumber: AB50268
ChemicalName: N-Acetyl-D-galactosamine
CasNumber: 14215-68-0
MolecularFormula: C8H15NO6
MolecularWeight: 221.2078
MdlNumber: MFCD00065372
Smiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)NC(=O)C
Complexity: 235
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 5
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -1.7
CatalogNumber:
AB50268
ChemicalName:
N-Acetyl-D-galactosamine
CasNumber:
14215-68-0
MolecularFormula:
C8H15NO6
MolecularWeight:
221.2078
MdlNumber:
MFCD00065372
Smiles:
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)NC(=O)C
Complexity:
235
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
5
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1.7
CatalogNumber: AB50269
ChemicalName: 1-Ethyl-3-methylimidazolium acetate
CasNumber: 143314-17-4
MolecularFormula: C8H14N2O2
MolecularWeight: 170.209
MdlNumber: MFCD06798186
Smiles: [O-]C(=O)C.CC[n+]1ccn(c1)C
Complexity: 98.4
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB50269
ChemicalName:
1-Ethyl-3-methylimidazolium acetate
CasNumber:
143314-17-4
MolecularFormula:
C8H14N2O2
MolecularWeight:
170.209
MdlNumber:
MFCD06798186
Smiles:
[O-]C(=O)C.CC[n+]1ccn(c1)C
Complexity:
98.4
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(C(C(=O)[O-])O)C(=O)[O-].[Na+].[K+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(C(C(=O)[O-])O)C(=O)[O-].[Na+].[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB50271
ChemicalName: 2-Nitroacridine
CasNumber: 29808-81-9
MolecularFormula: C13H8N2O2
MolecularWeight: 224.2148
MdlNumber: MFCD07776937
Smiles: [O-][N+](=O)c1ccc2c(c1)cc1c(n2)cccc1
Complexity: 302
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.1
CatalogNumber:
AB50271
ChemicalName:
2-Nitroacridine
CasNumber:
29808-81-9
MolecularFormula:
C13H8N2O2
MolecularWeight:
224.2148
MdlNumber:
MFCD07776937
Smiles:
[O-][N+](=O)c1ccc2c(c1)cc1c(n2)cccc1
Complexity:
302
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.1