AH85865
90481-32-6 | (3S,4S)-Pyrrolidine-3,4-diol
Manufacturer: A2B Chem
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CatalogNumber
AH85865
ChemicalName
(3S,4S)-Pyrrolidine-3,4-diol
CasNumber
90481-32-6
MolecularFormula
C4H9NO2
MolecularWeight
103.1198
MdlNumber
MFCD08686737
Smiles
O[C@H]1CNC[C@@H]1O
Complexity
58.7
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
Xlogp3
-1.7
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CatalogNumber: AH85865
ChemicalName: (3S,4S)-Pyrrolidine-3,4-diol
CasNumber: 90481-32-6
MolecularFormula: C4H9NO2
MolecularWeight: 103.1198
MdlNumber: MFCD08686737
Smiles: O[C@H]1CNC[C@@H]1O
Complexity: 58.7
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
Xlogp3: -1.7
CatalogNumber:
AH85865
ChemicalName:
(3S,4S)-Pyrrolidine-3,4-diol
CasNumber:
90481-32-6
MolecularFormula:
C4H9NO2
MolecularWeight:
103.1198
MdlNumber:
MFCD08686737
Smiles:
O[C@H]1CNC[C@@H]1O
Complexity:
58.7
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
Xlogp3:
-1.7
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Smiles: OC(=O)C(CC(=O)O)(CC(=O)O)O.COc1ccc(cc1CN[C@H]1C2CCN([C@H]1C(c1ccccc1)c1ccccc1)CC2)C(C)(C)C
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Smiles:
OC(=O)C(CC(=O)O)(CC(=O)O)O.COc1ccc(cc1CN[C@H]1C2CCN([C@H]1C(c1ccccc1)c1ccccc1)CC2)C(C)(C)C
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC(C(CO)O)C(C(C(=O)[O-])O)O)CO)CO)O)O)O)O.O.[OH-].[O-2].[Fe+3]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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Smiles:
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC(C(CO)O)C(C(C(=O)[O-])O)O)CO)CO)O)O)O)O.O.[OH-].[O-2].[Fe+3]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
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