AB76267
542-44-9 | Monopalmitin
Manufacturer: A2B Chem
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CatalogNumber
AB76267
ChemicalName
Monopalmitin
CasNumber
542-44-9
MolecularFormula
C19H38O4
MolecularWeight
330.5026
MdlNumber
MFCD00042734
Smiles
CCCCCCCCCCCCCCCC(=O)OCC(CO)O
NscNumber
404240
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
18
UndefinedAtomStereocenterCount
1
Xlogp3
6.3
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CatalogNumber: AB76267
ChemicalName: Monopalmitin
CasNumber: 542-44-9
MolecularFormula: C19H38O4
MolecularWeight: 330.5026
MdlNumber: MFCD00042734
Smiles: CCCCCCCCCCCCCCCC(=O)OCC(CO)O
NscNumber: 404240
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 18
UndefinedAtomStereocenterCount: 1
Xlogp3: 6.3
CatalogNumber:
AB76267
ChemicalName:
Monopalmitin
CasNumber:
542-44-9
MolecularFormula:
C19H38O4
MolecularWeight:
330.5026
MdlNumber:
MFCD00042734
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(CO)O
NscNumber:
404240
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
18
UndefinedAtomStereocenterCount:
1
Xlogp3:
6.3
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Smiles: Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)[O-].[K+]
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Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)[O-].[K+]
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Smiles: OC(P(=O)(O)O)(P(=O)(O)[O-])Cc1cccnc1.OC(P(=O)(O)O)(P(=O)(O)[O-])Cc1cccnc1.[Na+].[Na+].O.O.O.O.O
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(P(=O)(O)O)(P(=O)(O)[O-])Cc1cccnc1.OC(P(=O)(O)O)(P(=O)(O)[O-])Cc1cccnc1.[Na+].[Na+].O.O.O.O.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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