AI66311
500556-91-2 | (1R*,2S*,4S*)-7-Aza-bicyclo[2.2.1]heptane-2,7-dicarboxylic acid 7-tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI66311
ChemicalName
(1R*,2S*,4S*)-7-Aza-bicyclo[2.2.1]heptane-2,7-dicarboxylic acid 7-tert-butyl ester
CasNumber
500556-91-2
MolecularFormula
C12H19NO4
MolecularWeight
241.2836
MdlNumber
MFCD12198742
Smiles
O=C(N1[C@H]2CC[C@@H]1[C@H](C2)C(=O)O)OC(C)(C)C
Complexity
347
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AI66311
ChemicalName: (1R*,2S*,4S*)-7-Aza-bicyclo[2.2.1]heptane-2,7-dicarboxylic acid 7-tert-butyl ester
CasNumber: 500556-91-2
MolecularFormula: C12H19NO4
MolecularWeight: 241.2836
MdlNumber: MFCD12198742
Smiles: O=C(N1[C@H]2CC[C@@H]1[C@H](C2)C(=O)O)OC(C)(C)C
Complexity: 347
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AI66311
ChemicalName:
(1R*,2S*,4S*)-7-Aza-bicyclo[2.2.1]heptane-2,7-dicarboxylic acid 7-tert-butyl ester
CasNumber:
500556-91-2
MolecularFormula:
C12H19NO4
MolecularWeight:
241.2836
MdlNumber:
MFCD12198742
Smiles:
O=C(N1[C@H]2CC[C@@H]1[C@H](C2)C(=O)O)OC(C)(C)C
Complexity:
347
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(C#C)c(cc1C#C)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
COC(=O)c1cc(C#C)c(cc1C#C)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)C1(C)CCN(C=C1F)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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__
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MolecularFormula:
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MdlNumber:
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Smiles:
CCOC(=O)C1(C)CCN(C=C1F)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AI66314
ChemicalName: 2,3-(S)-Hexahydroxydiphenoyl-4,6-(S,S)-gallagyl-D-glucose
CasNumber: 65995-63-3
MolecularFormula: C48H28O30
MolecularWeight: 1084.7179
MdlNumber: MFCD09838017
Smiles: O=CC1OC(=O)c2cc(O)c(c(c2-c2c(C(=O)OC1C1OC(=O)c3cc(O)c(c(c3-c3c(O)c(O)c4c5c3c(=O)oc3c5c(c(-c5c(C(=O)OCC1O)cc(O)c(c5O)O)c(O)c3O)c(=O)o4)O)O)cc(c(c2O)O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI66314
ChemicalName:
2,3-(S)-Hexahydroxydiphenoyl-4,6-(S,S)-gallagyl-D-glucose
CasNumber:
65995-63-3
MolecularFormula:
C48H28O30
MolecularWeight:
1084.7179
MdlNumber:
MFCD09838017
Smiles:
O=CC1OC(=O)c2cc(O)c(c(c2-c2c(C(=O)OC1C1OC(=O)c3cc(O)c(c(c3-c3c(O)c(O)c4c5c3c(=O)oc3c5c(c(-c5c(C(=O)OCC1O)cc(O)c(c5O)O)c(O)c3O)c(=O)o4)O)O)cc(c(c2O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__