AB51646
1180-71-8 | Limonin
Manufacturer: A2B Chem
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CatalogNumber
AB51646
ChemicalName
Limonin
CasNumber
1180-71-8
MolecularFormula
C26H30O8
MolecularWeight
470.5116
MdlNumber
MFCD00075922
Smiles
O=C1OC[C@]23[C@H](C1)OC([C@@H]2CC(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C
Complexity
1010
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
9
HeavyAtomCount
34
HydrogenBondAcceptorCount
8
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AB51646
ChemicalName: Limonin
CasNumber: 1180-71-8
MolecularFormula: C26H30O8
MolecularWeight: 470.5116
MdlNumber: MFCD00075922
Smiles: O=C1OC[C@]23[C@H](C1)OC([C@@H]2CC(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C
Complexity: 1010
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 9
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 8
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB51646
ChemicalName:
Limonin
CasNumber:
1180-71-8
MolecularFormula:
C26H30O8
MolecularWeight:
470.5116
MdlNumber:
MFCD00075922
Smiles:
O=C1OC[C@]23[C@H](C1)OC([C@@H]2CC(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C
Complexity:
1010
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
9
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
8
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1Oc2ccc(cc2C(C1)c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1Oc2ccc(cc2C(C1)c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)O.C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC
Complexity: 845
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)O.C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC
Complexity:
845
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NO.Cl
Complexity: 2
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NO.Cl
Complexity:
2
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__