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AH51074

75567-37-2 | Ingenol Mebutate

Manufacturer: A2B Chem

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CatalogNumber

AH51074

ChemicalName

Ingenol Mebutate

CasNumber

75567-37-2

MolecularFormula

C25H34O6

MolecularWeight

430.5338599999999

MdlNumber

MFCD07784504

Smiles

CC=C(C(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C)CO)C)C

Complexity

926

Covalently-bondedUnitCount

1

DefinedAtomStereocenterCount

8

DefinedBondStereocenterCount

1

HeavyAtomCount

31

HydrogenBondAcceptorCount

6

HydrogenBondDonorCount

3

RotatableBondCount

4

Xlogp3

2

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A2B Chem

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CatalogNumber:

AH51074

ChemicalName:

Ingenol Mebutate

CasNumber:

75567-37-2

MolecularFormula:

C25H34O6

MolecularWeight:

430.5338599999999

MdlNumber:

MFCD07784504

Smiles:

CC=C(C(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C)CO)C)C

Complexity:

926

Covalently-bondedUnitCount:

1

DefinedAtomStereocenterCount:

8

DefinedBondStereocenterCount:

1

HeavyAtomCount:

31

HydrogenBondAcceptorCount:

6

HydrogenBondDonorCount:

3

RotatableBondCount:

4

Xlogp3:

2

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

O=C(c1noc(c1)c1cccs1)NC1CC1

Complexity:

283

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

DefinedBondStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

__

Xlogp3:

1.9

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](CCCCCC=C[C@H]1[C@](NC2=O)(C1)C(=O)NS(=O)(=O)C1CC1)NC(=O)OC(C)(C)C

Complexity:

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

DefinedBondStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O.Cl.Cl

Complexity:

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

DefinedBondStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__