AB52385
864070-44-0 | (2S,3R,4R,5S,6R)-2-[4-chloro-3-({4-[(3S)-oxolan-3-yloxy]phenyl}methyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Manufacturer: A2B Chem
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CatalogNumber
AB52385
ChemicalName
(2S,3R,4R,5S,6R)-2-[4-chloro-3-({4-[(3S)-oxolan-3-yloxy]phenyl}methyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CasNumber
864070-44-0
MolecularFormula
C23H27ClO7
MolecularWeight
450.9093
MdlNumber
MFCD22566222
Smiles
OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)O[C@@H]2COCC2)Cl)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
558
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
6
HeavyAtomCount
31
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
4
RotatableBondCount
6
Xlogp3
2
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CatalogNumber: AB52385
ChemicalName: (2S,3R,4R,5S,6R)-2-[4-chloro-3-({4-[(3S)-oxolan-3-yloxy]phenyl}methyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CasNumber: 864070-44-0
MolecularFormula: C23H27ClO7
MolecularWeight: 450.9093
MdlNumber: MFCD22566222
Smiles: OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)O[C@@H]2COCC2)Cl)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 558
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 6
Xlogp3: 2
CatalogNumber:
AB52385
ChemicalName:
(2S,3R,4R,5S,6R)-2-[4-chloro-3-({4-[(3S)-oxolan-3-yloxy]phenyl}methyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CasNumber:
864070-44-0
MolecularFormula:
C23H27ClO7
MolecularWeight:
450.9093
MdlNumber:
MFCD22566222
Smiles:
OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)O[C@@H]2COCC2)Cl)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
558
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
6
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](C(O)(C)C)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)[C@H](C(O)(C)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccccc1S(=O)(=O)C)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccccc1S(=O)(=O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52388
ChemicalName: (1R,5S,6R)-3-BOC-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber: 927679-54-7
MolecularFormula: C11H17NO4
MolecularWeight: 227.257
MdlNumber: MFCD12198680
Smiles: O=C(N1C[C@@H]2[C@H](C1)[C@H]2C(=O)O)OC(C)(C)C
Complexity: 321
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AB52388
ChemicalName:
(1R,5S,6R)-3-BOC-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber:
927679-54-7
MolecularFormula:
C11H17NO4
MolecularWeight:
227.257
MdlNumber:
MFCD12198680
Smiles:
O=C(N1C[C@@H]2[C@H](C1)[C@H]2C(=O)O)OC(C)(C)C
Complexity:
321
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.7