AI30179
133-51-7 | (2R,3R,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol stiborate salt
Manufacturer: A2B Chem
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CatalogNumber
AI30179
ChemicalName
(2R,3R,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol stiborate salt
CasNumber
133-51-7
MolecularFormula
C7H20NO9Sb
MolecularWeight
383.995
MdlNumber
MFCD01725422
Smiles
O[Sb](=O)(O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Complexity
180
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
4
HeavyAtomCount
17
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
7
RotatableBondCount
6
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CatalogNumber: AI30179
ChemicalName: (2R,3R,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol stiborate salt
CasNumber: 133-51-7
MolecularFormula: C7H20NO9Sb
MolecularWeight: 383.995
MdlNumber: MFCD01725422
Smiles: O[Sb](=O)(O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Complexity: 180
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 7
RotatableBondCount: 6
CatalogNumber:
AI30179
ChemicalName:
(2R,3R,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol stiborate salt
CasNumber:
133-51-7
MolecularFormula:
C7H20NO9Sb
MolecularWeight:
383.995
MdlNumber:
MFCD01725422
Smiles:
O[Sb](=O)(O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Complexity:
180
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
7
RotatableBondCount:
6
CatalogNumber: __
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MolecularFormula: __
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Smiles: COc1nc(C#C)ncc1F
Complexity: __
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Smiles:
COc1nc(C#C)ncc1F
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: COc1nc(C#C)ncc1C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
COc1nc(C#C)ncc1C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O1CCOCC1.OC[C@H]1O[C@@H](SC(C)C)[C@@H]([C@H]([C@H]1O)O)O.OC[C@H]1O[C@@H](SC(C)C)[C@@H]([C@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O1CCOCC1.OC[C@H]1O[C@@H](SC(C)C)[C@@H]([C@H]([C@H]1O)O)O.OC[C@H]1O[C@@H](SC(C)C)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__