AD22969
461432-25-7 | (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Manufacturer: A2B Chem
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CatalogNumber
AD22969
ChemicalName
(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
CasNumber
461432-25-7
MolecularFormula
C29H33ClO10
MolecularWeight
577.0193199999998
MdlNumber
MFCD22494949
Smiles
CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity
873
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
40
HydrogenBondAcceptorCount
10
RotatableBondCount
14
Xlogp3
4.1
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CatalogNumber: AD22969
ChemicalName: (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
CasNumber: 461432-25-7
MolecularFormula: C29H33ClO10
MolecularWeight: 577.0193199999998
MdlNumber: MFCD22494949
Smiles: CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: 873
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 10
RotatableBondCount: 14
Xlogp3: 4.1
CatalogNumber:
AD22969
ChemicalName:
(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
CasNumber:
461432-25-7
MolecularFormula:
C29H33ClO10
MolecularWeight:
577.0193199999998
MdlNumber:
MFCD22494949
Smiles:
CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
873
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
10
RotatableBondCount:
14
Xlogp3:
4.1
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Smiles: NC(=O)c1cc2ccccc2c2c1cccc2
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NC(=O)c1cc2ccccc2c2c1cccc2
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Smiles: COc1cc(C(C(=O)O)N)c(cc1OC)[N+](=O)[O-]
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COc1cc(C(C(=O)O)N)c(cc1OC)[N+](=O)[O-]
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Smiles: OC(=O)c1cc2cccnc2nc1C(F)(F)F
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Smiles:
OC(=O)c1cc2cccnc2nc1C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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