AI56940
84380-01-8 | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
Manufacturer: A2B Chem
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CatalogNumber
AI56940
ChemicalName
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
CasNumber
84380-01-8
MolecularFormula
C12H16O7
MolecularWeight
272.25124
MdlNumber
MFCD09838262
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: AI56940
ChemicalName: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
CasNumber: 84380-01-8
MolecularFormula: C12H16O7
MolecularWeight: 272.25124
MdlNumber: MFCD09838262
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:
AI56940
ChemicalName:
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
CasNumber:
84380-01-8
MolecularFormula:
C12H16O7
MolecularWeight:
272.25124
MdlNumber:
MFCD09838262
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: CCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
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CCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
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Smiles: CCCOC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
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Smiles:
CCCOC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
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Smiles: NC(=O)c1n[nH]cc1c1ccccc1
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DefinedAtomStereocenterCount: __
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HydrogenBondDonorCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1n[nH]cc1c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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