AB06562
2058-58-4 | D-Asparagine
Manufacturer: A2B Chem
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CatalogNumber
AB06562
ChemicalName
D-Asparagine
CasNumber
2058-58-4
MolecularFormula
C4H8N2O3
MolecularWeight
132.11792
MdlNumber
MFCD00008036
Smiles
NC(=O)C[C@H](C(=O)O)N
Complexity
134
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-3.4
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CatalogNumber: AB06562
ChemicalName: D-Asparagine
CasNumber: 2058-58-4
MolecularFormula: C4H8N2O3
MolecularWeight: 132.11792
MdlNumber: MFCD00008036
Smiles: NC(=O)C[C@H](C(=O)O)N
Complexity: 134
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -3.4
CatalogNumber:
AB06562
ChemicalName:
D-Asparagine
CasNumber:
2058-58-4
MolecularFormula:
C4H8N2O3
MolecularWeight:
132.11792
MdlNumber:
MFCD00008036
Smiles:
NC(=O)C[C@H](C(=O)O)N
Complexity:
134
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)C1=Nc2ccccc2Sc2c1cc(Cl)cc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)C1=Nc2ccccc2Sc2c1cc(Cl)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB06564
ChemicalName: 3-(Methylsulfonyl)-1-propanol
CasNumber: 2058-49-3
MolecularFormula: C4H10O3S
MolecularWeight: 138.1854
MdlNumber: MFCD01696727
Smiles: OCCCS(=O)(=O)C
Complexity: 130
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.7
CatalogNumber:
AB06564
ChemicalName:
3-(Methylsulfonyl)-1-propanol
CasNumber:
2058-49-3
MolecularFormula:
C4H10O3S
MolecularWeight:
138.1854
MdlNumber:
MFCD01696727
Smiles:
OCCCS(=O)(=O)C
Complexity:
130
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__