AI14499
122111-01-7 | 2-Deoxy-2,2-difluoro-D-erythro-pentonic acid gamma lactone 3,5-dibenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI14499
ChemicalName
2-Deoxy-2,2-difluoro-D-erythro-pentonic acid gamma lactone 3,5-dibenzoate
CasNumber
122111-01-7
MolecularFormula
C19H14F2O6
MolecularWeight
376.30766639999996
MdlNumber
MFCD00209570
Smiles
O=C(c1ccccc1)OC[C@H]1OC(=O)C([C@@H]1OC(=O)c1ccccc1)(F)F
Complexity
567
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
27
HydrogenBondAcceptorCount
8
RotatableBondCount
7
Xlogp3
3.8
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CatalogNumber: AI14499
ChemicalName: 2-Deoxy-2,2-difluoro-D-erythro-pentonic acid gamma lactone 3,5-dibenzoate
CasNumber: 122111-01-7
MolecularFormula: C19H14F2O6
MolecularWeight: 376.30766639999996
MdlNumber: MFCD00209570
Smiles: O=C(c1ccccc1)OC[C@H]1OC(=O)C([C@@H]1OC(=O)c1ccccc1)(F)F
Complexity: 567
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 8
RotatableBondCount: 7
Xlogp3: 3.8
CatalogNumber:
AI14499
ChemicalName:
2-Deoxy-2,2-difluoro-D-erythro-pentonic acid gamma lactone 3,5-dibenzoate
CasNumber:
122111-01-7
MolecularFormula:
C19H14F2O6
MolecularWeight:
376.30766639999996
MdlNumber:
MFCD00209570
Smiles:
O=C(c1ccccc1)OC[C@H]1OC(=O)C([C@@H]1OC(=O)c1ccccc1)(F)F
Complexity:
567
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
8
RotatableBondCount:
7
Xlogp3:
3.8
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
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
Xlogp3:
3.3
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Smiles: Clc1ccc2c(c1)c1c(Cl)ncnc1[nH]2
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Clc1ccc2c(c1)c1c(Cl)ncnc1[nH]2
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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
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DefinedAtomStereocenterCount:
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