AB51971
19130-96-2 | 1-Deoxynojirimycin
Manufacturer: A2B Chem
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CatalogNumber
AB51971
ChemicalName
1-Deoxynojirimycin
CasNumber
19130-96-2
MolecularFormula
C6H13NO4
MolecularWeight
163.1717
MdlNumber
MFCD00063474
Smiles
OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O
Complexity
132
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
5
RotatableBondCount
1
Xlogp3
-2.3
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CatalogNumber: AB51971
ChemicalName: 1-Deoxynojirimycin
CasNumber: 19130-96-2
MolecularFormula: C6H13NO4
MolecularWeight: 163.1717
MdlNumber: MFCD00063474
Smiles: OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 132
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 5
RotatableBondCount: 1
Xlogp3: -2.3
CatalogNumber:
AB51971
ChemicalName:
1-Deoxynojirimycin
CasNumber:
19130-96-2
MolecularFormula:
C6H13NO4
MolecularWeight:
163.1717
MdlNumber:
MFCD00063474
Smiles:
OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
132
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
5
RotatableBondCount:
1
Xlogp3:
-2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=CC(=O)C(C)(C)C)C(C)(C)C.[O-]C(=CC(=O)C(C)(C)C)C(C)(C)C.[Cu+2]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
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Smiles:
[O-]C(=CC(=O)C(C)(C)C)C(C)(C)C.[O-]C(=CC(=O)C(C)(C)C)C(C)(C)C.[Cu+2]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)cc(s2)C(=O)O
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)cc(s2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CC(C1)(C)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CC(C1)(C)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__