AB47445
56502-01-3 | Boc-L-beta-homoproline
Manufacturer: A2B Chem
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CatalogNumber
AB47445
ChemicalName
Boc-L-beta-homoproline
CasNumber
56502-01-3
MolecularFormula
C11H19NO4
MolecularWeight
229.2729
MdlNumber
MFCD01862939
Smiles
OC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity
282
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AB47445
ChemicalName: Boc-L-beta-homoproline
CasNumber: 56502-01-3
MolecularFormula: C11H19NO4
MolecularWeight: 229.2729
MdlNumber: MFCD01862939
Smiles: OC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity: 282
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AB47445
ChemicalName:
Boc-L-beta-homoproline
CasNumber:
56502-01-3
MolecularFormula:
C11H19NO4
MolecularWeight:
229.2729
MdlNumber:
MFCD01862939
Smiles:
OC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity:
282
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@H](C(=O)OC)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@H](C(=O)OC)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47447
ChemicalName: (-)-Epicatechin Gallate
CasNumber: 1257-08-5
MolecularFormula: C22H18O10
MolecularWeight: 442.3723
MdlNumber: MFCD00075936
Smiles: Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O
Complexity: 649
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 7
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AB47447
ChemicalName:
(-)-Epicatechin Gallate
CasNumber:
1257-08-5
MolecularFormula:
C22H18O10
MolecularWeight:
442.3723
MdlNumber:
MFCD00075936
Smiles:
Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O
Complexity:
649
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
7
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]([C@H](C(=O)O)O)C(=O)O.OCCO[C@H]1C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]([C@H](C(=O)O)O)C(=O)O.OCCO[C@H]1C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__