AF31328
25320-93-8 | Butyl-a-d-glucopyranoside
Manufacturer: A2B Chem
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CatalogNumber
AF31328
ChemicalName
Butyl-a-d-glucopyranoside
CasNumber
25320-93-8
MolecularFormula
C10H20O6
MolecularWeight
236.2622
MdlNumber
MFCD08704048
Smiles
CCCCO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity
200
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
4
RotatableBondCount
5
Xlogp3
-0.9
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CatalogNumber: AF31328
ChemicalName: Butyl-a-d-glucopyranoside
CasNumber: 25320-93-8
MolecularFormula: C10H20O6
MolecularWeight: 236.2622
MdlNumber: MFCD08704048
Smiles: CCCCO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity: 200
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 4
RotatableBondCount: 5
Xlogp3: -0.9
CatalogNumber:
AF31328
ChemicalName:
Butyl-a-d-glucopyranoside
CasNumber:
25320-93-8
MolecularFormula:
C10H20O6
MolecularWeight:
236.2622
MdlNumber:
MFCD08704048
Smiles:
CCCCO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
200
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
4
RotatableBondCount:
5
Xlogp3:
-0.9
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)NC5CCCCC5)C)C(=O)C6=CC=CC=C6C3=O)C)S(=O)(=O)NC7CCCCC7)C
Complexity: __
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Smiles:
CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)NC5CCCCC5)C)C(=O)C6=CC=CC=C6C3=O)C)S(=O)(=O)NC7CCCCC7)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1cc2c(cc1OC)CCN([C@@H]2Cc1ccc(cc1)Oc1cc(ccc1OCc1ccccc1)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
COc1cc2c(cc1OC)CCN([C@@H]2Cc1ccc(cc1)Oc1cc(ccc1OCc1ccccc1)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Brc1ccc(cn1)C1OCCO1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Brc1ccc(cn1)C1OCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__