AE41296
1358-76-5 | Koumine
Manufacturer: A2B Chem
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CatalogNumber
AE41296
ChemicalName
Koumine
CasNumber
1358-76-5
MolecularFormula
C20H22N2O
MolecularWeight
306.4015
MdlNumber
MFCD11111448
Smiles
C=C[C@]12CN(C)[C@@H]3[C@@H]4[C@H]1C[C@H](C1=Nc5c([C@]21C3)cccc5)OC4
Complexity
615
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
6
HeavyAtomCount
23
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AE41296
ChemicalName: Koumine
CasNumber: 1358-76-5
MolecularFormula: C20H22N2O
MolecularWeight: 306.4015
MdlNumber: MFCD11111448
Smiles: C=C[C@]12CN(C)[C@@H]3[C@@H]4[C@H]1C[C@H](C1=Nc5c([C@]21C3)cccc5)OC4
Complexity: 615
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AE41296
ChemicalName:
Koumine
CasNumber:
1358-76-5
MolecularFormula:
C20H22N2O
MolecularWeight:
306.4015
MdlNumber:
MFCD11111448
Smiles:
C=C[C@]12CN(C)[C@@H]3[C@@H]4[C@H]1C[C@H](C1=Nc5c([C@]21C3)cccc5)OC4
Complexity:
615
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2C=CC2=C3[C@](CC[C@@]12C)(C)CC[C@](C3)(C)C(=O)O)C)C)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC[C@@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2C=CC2=C3[C@](CC[C@@]12C)(C)CC[C@](C3)(C)C(=O)O)C)C)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC[C@H](/C=C(/C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@H]2[C@@H](C1=O)O2)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC[C@H](/C=C(/C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@H]2[C@@H](C1=O)O2)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1[o+]c2cc(O)cc(c2cc1O)O.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1[o+]c2cc(O)cc(c2cc1O)O.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__