AX19790
67814-76-0 | Isepamicin Sulphate
Manufacturer: A2B Chem
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CatalogNumber
AX19790
ChemicalName
Isepamicin Sulphate
CasNumber
67814-76-0
MolecularFormula
C22H45N5O16S
MolecularWeight
667.6816
MdlNumber
MFCD01683537
Smiles
OS(=O)(=O)O.NC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O
Complexity
899
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
15
HeavyAtomCount
44
HydrogenBondAcceptorCount
20
HydrogenBondDonorCount
14
RotatableBondCount
9
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CatalogNumber: AX19790
ChemicalName: Isepamicin Sulphate
CasNumber: 67814-76-0
MolecularFormula: C22H45N5O16S
MolecularWeight: 667.6816
MdlNumber: MFCD01683537
Smiles: OS(=O)(=O)O.NC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O
Complexity: 899
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 15
HeavyAtomCount: 44
HydrogenBondAcceptorCount: 20
HydrogenBondDonorCount: 14
RotatableBondCount: 9
CatalogNumber:
AX19790
ChemicalName:
Isepamicin Sulphate
CasNumber:
67814-76-0
MolecularFormula:
C22H45N5O16S
MolecularWeight:
667.6816
MdlNumber:
MFCD01683537
Smiles:
OS(=O)(=O)O.NC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O
Complexity:
899
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
15
HeavyAtomCount:
44
HydrogenBondAcceptorCount:
20
HydrogenBondDonorCount:
14
RotatableBondCount:
9
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Smiles: CN1C2CCC1CC(C2)Nc1ccccc1
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Smiles:
CN1C2CCC1CC(C2)Nc1ccccc1
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Smiles: c1ccc(cc1)CNC1CC2CC1CC2
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MolecularFormula:
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Smiles:
c1ccc(cc1)CNC1CC2CC1CC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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