AB47447
1257-08-5 | (-)-Epicatechin Gallate
Manufacturer: A2B Chem
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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
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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:
__
CatalogNumber: AB47449
ChemicalName: Ethyl 3-(3-amino-4-(methylamino)-n-(pyridin-2-yl)benzamido)propanoate
CasNumber: 212322-56-0
MolecularFormula: C18H22N4O3
MolecularWeight: 342.3923
MdlNumber: MFCD09833624
Smiles: CCOC(=O)CCN(C(=O)c1ccc(c(c1)N)NC)c1ccccn1
Complexity: 446
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 1.7
CatalogNumber:
AB47449
ChemicalName:
Ethyl 3-(3-amino-4-(methylamino)-n-(pyridin-2-yl)benzamido)propanoate
CasNumber:
212322-56-0
MolecularFormula:
C18H22N4O3
MolecularWeight:
342.3923
MdlNumber:
MFCD09833624
Smiles:
CCOC(=O)CCN(C(=O)c1ccc(c(c1)N)NC)c1ccccn1
Complexity:
446
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
1.7
CatalogNumber: AB47450
ChemicalName: 3-Chloro-2-fluorophenylhydrazine, HCl
CasNumber: 517920-75-1
MolecularFormula: C6H7Cl2FN2
MolecularWeight: 197.0376
MdlNumber: MFCD03094280
Smiles: NNc1cccc(c1F)Cl.Cl
Complexity: 112
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB47450
ChemicalName:
3-Chloro-2-fluorophenylhydrazine, HCl
CasNumber:
517920-75-1
MolecularFormula:
C6H7Cl2FN2
MolecularWeight:
197.0376
MdlNumber:
MFCD03094280
Smiles:
NNc1cccc(c1F)Cl.Cl
Complexity:
112
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
__