actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate

C24H38Ac2O8 — CID 59046636

About actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate

actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate (PubChem CID 59046636) has the molecular formula C24H38Ac2O8 and a molecular weight of 908.56 g/mol. Its IUPAC name is actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate.

Molecular Properties

• Compound Name: actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate
• PubChem CID: 59046636
• Molecular Formula: C24H38Ac2O8
• Molecular Weight: 908.56 g/mol
• Exact Mass: 908.31
• IUPAC Name: actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate
• SMILES: CC(=O)OC(C1[C@]2(O)CO[C@@H]2C[C@H](C)[C@@]1(C)C(=O)[C@@H](C)O)[C@]1(O)C[C@H](O)C(C)=CC1(C)C.[Ac].[Ac]
• InChI: InChI=1S/C24H38O8.2Ac/c1-12-9-21(5,6)24(30,10-16(12)27)20(32-15(4)26)18-22(7,19(28)14(3)25)13(2)8-17-23(18,29)11-31-17;;/h9,13-14,16-18,20,25,27,29-30H,8,10-11H2,1-7H3;;/t13-,14+,16-,17+,18?,20?,22+,23-,24+;;/m0../s1
• InChIKey: LPJNCRWDBWOHGK-KUBHDZTBSA-N
• XLogP: 1.13
• TPSA: 133.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	908.56
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate?

The IUPAC name of actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate (CID 59046636) is actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate.

What is the SMILES notation for actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate?

The canonical SMILES for actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate is CC(=O)OC(C1[C@]2(O)CO[C@@H]2C[C@H](C)[C@@]1(C)C(=O)[C@@H](C)O)[C@]1(O)C[C@H](O)C(C)=CC1(C)C.[Ac].[Ac].

What is the InChIKey of actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate?

The InChIKey is LPJNCRWDBWOHGK-KUBHDZTBSA-N. The full InChI is InChI=1S/C24H38O8.2Ac/c1-12-9-21(5,6)24(30,10-16(12)27)20(32-15(4)26)18-22(7,19(28)14(3)25)13(2)8-17-23(18,29)11-31-17;;/h9,13-14,16-18,20,25,27,29-30H,8,10-11H2,1-7H3;;/t13-,14+,16-,17+,18?,20?,22+,23-,24+;;/m0../s1.

What are the key properties of actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate?

actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate has a molecular weight of 908.56 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[(S)-[(1S,5S)-1,5-dihydroxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-1-hydroxy-3-[(2R)-2-hydroxypropanoyl]-3,4-dimethyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate is sourced from PubChem (CID 59046636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).