AI14500
122111-11-9 | 2-Deoxy-2,2-difluoro-d-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AI14500
ChemicalName
2-Deoxy-2,2-difluoro-d-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate
CasNumber
122111-11-9
MolecularFormula
C20H18F2O8S
MolecularWeight
456.4139
MdlNumber
MFCD08460089
Smiles
O=C(c1ccccc1)OC[C@H]1OC(C([C@@H]1OC(=O)c1ccccc1)(F)F)OS(=O)(=O)C
Complexity
739
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
31
HydrogenBondAcceptorCount
10
RotatableBondCount
9
UndefinedAtomStereocenterCount
1
Xlogp3
3.3
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CatalogNumber: AI14500
ChemicalName: 2-Deoxy-2,2-difluoro-d-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate
CasNumber: 122111-11-9
MolecularFormula: C20H18F2O8S
MolecularWeight: 456.4139
MdlNumber: MFCD08460089
Smiles: O=C(c1ccccc1)OC[C@H]1OC(C([C@@H]1OC(=O)c1ccccc1)(F)F)OS(=O)(=O)C
Complexity: 739
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 10
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.3
CatalogNumber:
AI14500
ChemicalName:
2-Deoxy-2,2-difluoro-d-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate
CasNumber:
122111-11-9
MolecularFormula:
C20H18F2O8S
MolecularWeight:
456.4139
MdlNumber:
MFCD08460089
Smiles:
O=C(c1ccccc1)OC[C@H]1OC(C([C@@H]1OC(=O)c1ccccc1)(F)F)OS(=O)(=O)C
Complexity:
739
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
10
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.3
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Smiles: Clc1ccc2c(c1)c1c(Cl)ncnc1[nH]2
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Smiles:
Clc1ccc2c(c1)c1c(Cl)ncnc1[nH]2
Complexity:
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Smiles: Clc1cncc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
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Smiles:
Clc1cncc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity:
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DefinedAtomStereocenterCount:
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Smiles: COc1cc(Cl)cc(c1B(O)O)Cl
Complexity: __
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MolecularFormula:
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Smiles:
COc1cc(Cl)cc(c1B(O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__