AD34533
40631-95-6 | 3-O-Methylsulfonyl-D-glucopyranose
Manufacturer: A2B Chem
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CatalogNumber
AD34533
ChemicalName
3-O-Methylsulfonyl-D-glucopyranose
CasNumber
40631-95-6
MolecularFormula
C7H14O8S
MolecularWeight
258.2463
MdlNumber
MFCD06657649
Smiles
OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OS(=O)(=O)C)O
Complexity
322
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
16
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-2.5
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CatalogNumber: AD34533
ChemicalName: 3-O-Methylsulfonyl-D-glucopyranose
CasNumber: 40631-95-6
MolecularFormula: C7H14O8S
MolecularWeight: 258.2463
MdlNumber: MFCD06657649
Smiles: OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OS(=O)(=O)C)O
Complexity: 322
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -2.5
CatalogNumber:
AD34533
ChemicalName:
3-O-Methylsulfonyl-D-glucopyranose
CasNumber:
40631-95-6
MolecularFormula:
C7H14O8S
MolecularWeight:
258.2463
MdlNumber:
MFCD06657649
Smiles:
OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OS(=O)(=O)C)O
Complexity:
322
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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:
OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc(c1)S(=O)(=O)N
Complexity: 289
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N
Complexity:
289
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCC(CC1)n1ccc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CCC(CC1)n1ccc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__