AI51113
497-76-7 | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
Manufacturer: A2B Chem
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CatalogNumber
AI51113
ChemicalName
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
CasNumber
497-76-7
MolecularFormula
C12H16O7
MolecularWeight
272.25124
MdlNumber
MFCD00016915
Smiles
OC[C@H]1O[C@@H](Oc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
279
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
5
RotatableBondCount
3
Xlogp3
-0.7
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CatalogNumber: AI51113
ChemicalName: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
CasNumber: 497-76-7
MolecularFormula: C12H16O7
MolecularWeight: 272.25124
MdlNumber: MFCD00016915
Smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 279
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 5
RotatableBondCount: 3
Xlogp3: -0.7
CatalogNumber:
AI51113
ChemicalName:
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
CasNumber:
497-76-7
MolecularFormula:
C12H16O7
MolecularWeight:
272.25124
MdlNumber:
MFCD00016915
Smiles:
OC[C@H]1O[C@@H](Oc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
279
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
5
RotatableBondCount:
3
Xlogp3:
-0.7
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Smiles: COc1cc(c(cc1N)OC)S(=O)(=O)NC
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Smiles:
COc1cc(c(cc1N)OC)S(=O)(=O)NC
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Smiles: O=C(OCC1c2ccccc2-c2c1cccc2)NCC(C(=O)O)Cc1cccc2c1cccc2
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Smiles:
O=C(OCC1c2ccccc2-c2c1cccc2)NCC(C(=O)O)Cc1cccc2c1cccc2
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Smiles: COc1ccc(cc1)CC(C(=O)O)CNC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc(cc1)CC(C(=O)O)CNC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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