AI50752
4696-76-8 | Bekanamycin
Manufacturer: A2B Chem
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CatalogNumber
AI50752
ChemicalName
Bekanamycin
CasNumber
4696-76-8
MolecularFormula
C18H37N5O10
MolecularWeight
483.5139
MdlNumber
MFCD28390297
Smiles
OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2N)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O
Complexity
639
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
15
HeavyAtomCount
33
HydrogenBondAcceptorCount
15
HydrogenBondDonorCount
11
RotatableBondCount
6
Xlogp3
-7.2
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CatalogNumber: AI50752
ChemicalName: Bekanamycin
CasNumber: 4696-76-8
MolecularFormula: C18H37N5O10
MolecularWeight: 483.5139
MdlNumber: MFCD28390297
Smiles: OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2N)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O
Complexity: 639
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 15
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 15
HydrogenBondDonorCount: 11
RotatableBondCount: 6
Xlogp3: -7.2
CatalogNumber:
AI50752
ChemicalName:
Bekanamycin
CasNumber:
4696-76-8
MolecularFormula:
C18H37N5O10
MolecularWeight:
483.5139
MdlNumber:
MFCD28390297
Smiles:
OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2N)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O
Complexity:
639
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
15
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
15
HydrogenBondDonorCount:
11
RotatableBondCount:
6
Xlogp3:
-7.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=C)C(=O)OC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=C)C(=O)OC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=Cc2ccccc2Nc2c1cccc2
Complexity: 299
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=Cc2ccccc2Nc2c1cccc2
Complexity:
299
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(C(F)(F)F)(F)F)(COP1(=NP(=NP(=N1)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(C(F)(F)F)(F)F)(COP1(=NP(=NP(=N1)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__