AB42803
3398-22-9 | (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB42803
ChemicalName
(2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid
CasNumber
3398-22-9
MolecularFormula
C5H9NO3
MolecularWeight
131.1299
MdlNumber
MFCD00065608
Smiles
O[C@@H]1CN[C@H](C1)C(=O)O
Complexity
125
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
-3.3
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CatalogNumber: AB42803
ChemicalName: (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid
CasNumber: 3398-22-9
MolecularFormula: C5H9NO3
MolecularWeight: 131.1299
MdlNumber: MFCD00065608
Smiles: O[C@@H]1CN[C@H](C1)C(=O)O
Complexity: 125
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: -3.3
CatalogNumber:
AB42803
ChemicalName:
(2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid
CasNumber:
3398-22-9
MolecularFormula:
C5H9NO3
MolecularWeight:
131.1299
MdlNumber:
MFCD00065608
Smiles:
O[C@@H]1CN[C@H](C1)C(=O)O
Complexity:
125
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
-3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](Cc1ccc(c(c1)I)Oc1ccc(c(c1)I)O)N
Complexity: 385
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](Cc1ccc(c(c1)I)Oc1ccc(c(c1)I)O)N
Complexity:
385
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AB42805
ChemicalName: (-)-Gallocatechin
CasNumber: 3371-27-5
MolecularFormula: C15H14O7
MolecularWeight: 306.2675
MdlNumber: MFCD01632616
Smiles: Oc1cc2O[C@@H](c3cc(O)c(c(c3)O)O)[C@@H](Cc2c(c1)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB42805
ChemicalName:
(-)-Gallocatechin
CasNumber:
3371-27-5
MolecularFormula:
C15H14O7
MolecularWeight:
306.2675
MdlNumber:
MFCD01632616
Smiles:
Oc1cc2O[C@@H](c3cc(O)c(c(c3)O)O)[C@@H](Cc2c(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB42806
ChemicalName: tert-Butyl (2s,3r)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CasNumber: 112741-50-1
MolecularFormula: C21H23NO4
MolecularWeight: 353.4116
MdlNumber: MFCD00074953
Smiles: O=C1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
Complexity: 501
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.9
CatalogNumber:
AB42806
ChemicalName:
tert-Butyl (2s,3r)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CasNumber:
112741-50-1
MolecularFormula:
C21H23NO4
MolecularWeight:
353.4116
MdlNumber:
MFCD00074953
Smiles:
O=C1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
Complexity:
501
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.9