AD78177
108050-54-0 | Tilmicosin
Manufacturer: A2B Chem
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CatalogNumber
AD78177
ChemicalName
Tilmicosin
CasNumber
108050-54-0
MolecularFormula
C46H80N2O13
MolecularWeight
869.133
MdlNumber
MFCD00864842
Smiles
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)C(C(C2O)N(C)C)O)[C@@H](CCN2C[C@H](C)C[C@@H](C2)C)C[C@H](C(=O)/C=C/C(=C/[C@@H]1COC1OC(C)C(C(C1OC)OC)O)/C)C
Complexity
1420
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
19
DefinedBondStereocenterCount
2
HeavyAtomCount
61
HydrogenBondAcceptorCount
15
HydrogenBondDonorCount
4
RotatableBondCount
12
Xlogp3
3.6
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CatalogNumber: AD78177
ChemicalName: Tilmicosin
CasNumber: 108050-54-0
MolecularFormula: C46H80N2O13
MolecularWeight: 869.133
MdlNumber: MFCD00864842
Smiles: CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)C(C(C2O)N(C)C)O)[C@@H](CCN2C[C@H](C)C[C@@H](C2)C)C[C@H](C(=O)/C=C/C(=C/[C@@H]1COC1OC(C)C(C(C1OC)OC)O)/C)C
Complexity: 1420
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 19
DefinedBondStereocenterCount: 2
HeavyAtomCount: 61
HydrogenBondAcceptorCount: 15
HydrogenBondDonorCount: 4
RotatableBondCount: 12
Xlogp3: 3.6
CatalogNumber:
AD78177
ChemicalName:
Tilmicosin
CasNumber:
108050-54-0
MolecularFormula:
C46H80N2O13
MolecularWeight:
869.133
MdlNumber:
MFCD00864842
Smiles:
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)C(C(C2O)N(C)C)O)[C@@H](CCN2C[C@H](C)C[C@@H](C2)C)C[C@H](C(=O)/C=C/C(=C/[C@@H]1COC1OC(C)C(C(C1OC)OC)O)/C)C
Complexity:
1420
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
19
DefinedBondStereocenterCount:
2
HeavyAtomCount:
61
HydrogenBondAcceptorCount:
15
HydrogenBondDonorCount:
4
RotatableBondCount:
12
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(=C)C)Oc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)OC(=O)C(=C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(=C)C)Oc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)OC(=O)C(=C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1cc(Cl)ccc1N
Complexity: 108
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1cc(Cl)ccc1N
Complexity:
108
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1(C)CCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1(C)CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__