AA41079
13127-18-9 | Erythromycin-9-oxime
Manufacturer: A2B Chem
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CatalogNumber
AA41079
ChemicalName
Erythromycin-9-oxime
CasNumber
13127-18-9
MolecularFormula
C37H68N2O13
MolecularWeight
748.9414
MdlNumber
MFCD00914803
Smiles
O/N=C/1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C
Complexity
1210
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
18
DefinedBondStereocenterCount
1
HeavyAtomCount
52
HydrogenBondAcceptorCount
15
HydrogenBondDonorCount
6
RotatableBondCount
7
Xlogp3
3
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CatalogNumber: AA41079
ChemicalName: Erythromycin-9-oxime
CasNumber: 13127-18-9
MolecularFormula: C37H68N2O13
MolecularWeight: 748.9414
MdlNumber: MFCD00914803
Smiles: O/N=C/1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C
Complexity: 1210
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 18
DefinedBondStereocenterCount: 1
HeavyAtomCount: 52
HydrogenBondAcceptorCount: 15
HydrogenBondDonorCount: 6
RotatableBondCount: 7
Xlogp3: 3
CatalogNumber:
AA41079
ChemicalName:
Erythromycin-9-oxime
CasNumber:
13127-18-9
MolecularFormula:
C37H68N2O13
MolecularWeight:
748.9414
MdlNumber:
MFCD00914803
Smiles:
O/N=C/1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C
Complexity:
1210
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
18
DefinedBondStereocenterCount:
1
HeavyAtomCount:
52
HydrogenBondAcceptorCount:
15
HydrogenBondDonorCount:
6
RotatableBondCount:
7
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1nc(ccn1)C(=O)CBr
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nc(ccn1)C(=O)CBr
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1CCN(C[C@@H]1N)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1CCN(C[C@@H]1N)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1C[C@H](N)CN(C1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1C[C@H](N)CN(C1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__