AA44012
128446-36-6 | Methylated-β-Cyclodextrin
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AA44012
ChemicalName
Methylated-β-Cyclodextrin
CasNumber
128446-36-6
MolecularFormula
C54H94O35
MolecularWeight
1303.3032
MdlNumber
MFCD00074980
Smiles
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@H]([C@@H]3OC)OC)O[C@@H]3[C@@H](CO)O[C@@H]([C@H]([C@@H]3OC)OC)O[C@@H]3[C@@H](CO)O[C@@H]([C@H]([C@@H]3OC)OC)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1[C@H]([C@@H]2OC)O)[C@@H](OC)[C@@H]5O)CO)[C@@H](OC)[C@@H]4OC)CO)[C@@H](OC)[C@@H]3OC)CO
Complexity
2050
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
35
HeavyAtomCount
89
HydrogenBondAcceptorCount
35
HydrogenBondDonorCount
9
RotatableBondCount
19
Xlogp3
-8.6
Related Products
Compare Similar Items
Show Difference
CatalogNumber: AA44012
ChemicalName: Methylated-β-Cyclodextrin
CasNumber: 128446-36-6
MolecularFormula: C54H94O35
MolecularWeight: 1303.3032
MdlNumber: MFCD00074980
Smiles: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@H]([C@@H]3OC)OC)O[C@@H]3[C@@H](CO)O[C@@H]([C@H]([C@@H]3OC)OC)O[C@@H]3[C@@H](CO)O[C@@H]([C@H]([C@@H]3OC)OC)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1[C@H]([C@@H]2OC)O)[C@@H](OC)[C@@H]5O)CO)[C@@H](OC)[C@@H]4OC)CO)[C@@H](OC)[C@@H]3OC)CO
Complexity: 2050
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 35
HeavyAtomCount: 89
HydrogenBondAcceptorCount: 35
HydrogenBondDonorCount: 9
RotatableBondCount: 19
Xlogp3: -8.6
CatalogNumber:
AA44012
ChemicalName:
Methylated-β-Cyclodextrin
CasNumber:
128446-36-6
MolecularFormula:
C54H94O35
MolecularWeight:
1303.3032
MdlNumber:
MFCD00074980
Smiles:
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@H]([C@@H]3OC)OC)O[C@@H]3[C@@H](CO)O[C@@H]([C@H]([C@@H]3OC)OC)O[C@@H]3[C@@H](CO)O[C@@H]([C@H]([C@@H]3OC)OC)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1[C@H]([C@@H]2OC)O)[C@@H](OC)[C@@H]5O)CO)[C@@H](OC)[C@@H]4OC)CO)[C@@H](OC)[C@@H]3OC)CO
Complexity:
2050
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
35
HeavyAtomCount:
89
HydrogenBondAcceptorCount:
35
HydrogenBondDonorCount:
9
RotatableBondCount:
19
Xlogp3:
-8.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(COC1C2OC3OC(COCC(O)C)C(C(C3OCC(O)C)OCC(O)C)OC3OC(COCC(O)C)C(C(C3OCC(O)C)OCC(O)C)OC3OC(COCC(O)C)C(C(C3OCC(O)C)OCC(O)C)OC3OC(C(OC4OC(C(OC5OC(C(OC(C1OCC(O)C)OC2COCC(O)C)C(OCC(O)C)C5OCC(O)C)COCC(O)C)C(OCC(O)C)C4OCC(O)C)COCC(O)C)C(OCC(O)C)C3OCC(O)C)COCC(O)C)O
Complexity: 2010
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -13
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(COC1C2OC3OC(COCC(O)C)C(C(C3OCC(O)C)OCC(O)C)OC3OC(COCC(O)C)C(C(C3OCC(O)C)OCC(O)C)OC3OC(COCC(O)C)C(C(C3OCC(O)C)OCC(O)C)OC3OC(C(OC4OC(C(OC5OC(C(OC(C1OCC(O)C)OC2COCC(O)C)C(OCC(O)C)C5OCC(O)C)COCC(O)C)C(OCC(O)C)C4OCC(O)C)COCC(O)C)C(OCC(O)C)C3OCC(O)C)COCC(O)C)O
Complexity:
2010
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-13
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)F)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)F)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(COCC1OC2OC3C(COCC(O)C)OC(C(C3O)O)OC3C(COCC(O)C)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)COCC(O)C)C(O)C4O)COCC(O)C)C(C3O)O)COCC(O)C)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(COCC1OC2OC3C(COCC(O)C)OC(C(C3O)O)OC3C(COCC(O)C)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)COCC(O)C)C(O)C4O)COCC(O)C)C(C3O)O)COCC(O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__