AE98332
16561-29-8 | Phorbol 12-myristate 13-acetate
Manufacturer: A2B Chem
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CatalogNumber
AE98332
ChemicalName
Phorbol 12-myristate 13-acetate
CasNumber
16561-29-8
MolecularFormula
C36H56O8
MolecularWeight
616.8250399999998
MdlNumber
MFCD00036736
Smiles
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO
Complexity
1150
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
8
HeavyAtomCount
44
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
17
Xlogp3
6.5
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CatalogNumber: AE98332
ChemicalName: Phorbol 12-myristate 13-acetate
CasNumber: 16561-29-8
MolecularFormula: C36H56O8
MolecularWeight: 616.8250399999998
MdlNumber: MFCD00036736
Smiles: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO
Complexity: 1150
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 8
HeavyAtomCount: 44
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 17
Xlogp3: 6.5
CatalogNumber:
AE98332
ChemicalName:
Phorbol 12-myristate 13-acetate
CasNumber:
16561-29-8
MolecularFormula:
C36H56O8
MolecularWeight:
616.8250399999998
MdlNumber:
MFCD00036736
Smiles:
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO
Complexity:
1150
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
8
HeavyAtomCount:
44
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
17
Xlogp3:
6.5
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C1=Cc2ccccc2/C(=N/Nc2cc(ccc2C)C(=O)N)/C1=O)Nc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C1=Cc2ccccc2/C(=N/Nc2cc(ccc2C)C(=O)N)/C1=O)Nc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__