AI35862
1445950-95-7 | 6-tert-Butyl 3-ethyl 4-oxohexahydro-2H-pyrano[3,2-c]pyridine-3,6(7H)-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI35862
ChemicalName
6-tert-Butyl 3-ethyl 4-oxohexahydro-2H-pyrano[3,2-c]pyridine-3,6(7H)-dicarboxylate
CasNumber
1445950-95-7
MolecularFormula
C16H25NO6
MolecularWeight
327.3728
MdlNumber
MFCD25509347
Smiles
CCOC(=O)C1COC2C(C1=O)CN(CC2)C(=O)OC(C)(C)C
Complexity
484
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
RotatableBondCount
5
UndefinedAtomStereocenterCount
3
Xlogp3
1.1
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CatalogNumber: AI35862
ChemicalName: 6-tert-Butyl 3-ethyl 4-oxohexahydro-2H-pyrano[3,2-c]pyridine-3,6(7H)-dicarboxylate
CasNumber: 1445950-95-7
MolecularFormula: C16H25NO6
MolecularWeight: 327.3728
MdlNumber: MFCD25509347
Smiles: CCOC(=O)C1COC2C(C1=O)CN(CC2)C(=O)OC(C)(C)C
Complexity: 484
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 3
Xlogp3: 1.1
CatalogNumber:
AI35862
ChemicalName:
6-tert-Butyl 3-ethyl 4-oxohexahydro-2H-pyrano[3,2-c]pyridine-3,6(7H)-dicarboxylate
CasNumber:
1445950-95-7
MolecularFormula:
C16H25NO6
MolecularWeight:
327.3728
MdlNumber:
MFCD25509347
Smiles:
CCOC(=O)C1COC2C(C1=O)CN(CC2)C(=O)OC(C)(C)C
Complexity:
484
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
3
Xlogp3:
1.1
CatalogNumber: AI35863
ChemicalName: (3aS,6aS)-tert-butyl 3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
CasNumber: 1445950-96-8
MolecularFormula: C12H22N2O3
MolecularWeight: 242.3147
MdlNumber: MFCD25509364
Smiles: OC[C@@]12CNC[C@H]2CN(C1)C(=O)OC(C)(C)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: -0.1
CatalogNumber:
AI35863
ChemicalName:
(3aS,6aS)-tert-butyl 3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
CasNumber:
1445950-96-8
MolecularFormula:
C12H22N2O3
MolecularWeight:
242.3147
MdlNumber:
MFCD25509364
Smiles:
OC[C@@]12CNC[C@H]2CN(C1)C(=O)OC(C)(C)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H]1CO[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H]1CO[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC(C(C1C)C(=O)O)C(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC(C(C1C)C(=O)O)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__