AI30553
1338-41-6 | Sorbitan monooctadecanoate
Manufacturer: A2B Chem
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CatalogNumber
AI30553
ChemicalName
Sorbitan monooctadecanoate
CasNumber
1338-41-6
MolecularFormula
C24H46O6
MolecularWeight
430.6184400000001
MdlNumber
MFCD00005366
Smiles
CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O
Complexity
417
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
30
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
20
Xlogp3
6.9
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CatalogNumber: AI30553
ChemicalName: Sorbitan monooctadecanoate
CasNumber: 1338-41-6
MolecularFormula: C24H46O6
MolecularWeight: 430.6184400000001
MdlNumber: MFCD00005366
Smiles: CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O
Complexity: 417
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 20
Xlogp3: 6.9
CatalogNumber:
AI30553
ChemicalName:
Sorbitan monooctadecanoate
CasNumber:
1338-41-6
MolecularFormula:
C24H46O6
MolecularWeight:
430.6184400000001
MdlNumber:
MFCD00005366
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O
Complexity:
417
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
20
Xlogp3:
6.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O[H]C1[C@@H](O)CO[C@@H]1[C@@H](CO)O.CCCCCCCCC=CCCCCCCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
O[H]C1[C@@H](O)CO[C@@H]1[C@@H](CO)O.CCCCCCCCC=CCCCCCCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COCCOCCC(=O)OC(C)(C)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COCCOCCC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(CCOCCC(=O)OC(C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(CCOCCC(=O)OC(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__