AB37512
29390-67-8 | Mono-(6-amino-6-deoxy)-beta-cyclodextrin
Manufacturer: A2B Chem
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CatalogNumber
AB37512
ChemicalName
Mono-(6-amino-6-deoxy)-beta-cyclodextrin
CasNumber
29390-67-8
MolecularFormula
C42H71NO34
MolecularWeight
1133.9994399999998
MdlNumber
MFCD03452964
Smiles
NC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)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]2O)O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO
Complexity
1840
Covalently-bondedUnitCount
1
HeavyAtomCount
77
HydrogenBondAcceptorCount
35
HydrogenBondDonorCount
21
RotatableBondCount
7
UndefinedAtomStereocenterCount
35
Xlogp3
-15.3
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CatalogNumber: AB37512
ChemicalName: Mono-(6-amino-6-deoxy)-beta-cyclodextrin
CasNumber: 29390-67-8
MolecularFormula: C42H71NO34
MolecularWeight: 1133.9994399999998
MdlNumber: MFCD03452964
Smiles: NC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)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]2O)O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO
Complexity: 1840
Covalently-bondedUnitCount: 1
HeavyAtomCount: 77
HydrogenBondAcceptorCount: 35
HydrogenBondDonorCount: 21
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 35
Xlogp3: -15.3
CatalogNumber:
AB37512
ChemicalName:
Mono-(6-amino-6-deoxy)-beta-cyclodextrin
CasNumber:
29390-67-8
MolecularFormula:
C42H71NO34
MolecularWeight:
1133.9994399999998
MdlNumber:
MFCD03452964
Smiles:
NC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)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]2O)O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO
Complexity:
1840
Covalently-bondedUnitCount:
1
HeavyAtomCount:
77
HydrogenBondAcceptorCount:
35
HydrogenBondDonorCount:
21
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
35
Xlogp3:
-15.3
CatalogNumber: __
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Smiles: CCCCCCC(C=CC=O)O
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Smiles:
CCCCCCC(C=CC=O)O
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Smiles: BrCc1ncc[nH]1.Br
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Smiles:
BrCc1ncc[nH]1.Br
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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__
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Smiles: S=c1[nH]c2c(s1)cc(cc2)S(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=c1[nH]c2c(s1)cc(cc2)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__