actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one

C22H49Ac2O6P13 — CID 59041941

About actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one

actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one (PubChem CID 59041941) has the molecular formula C22H49Ac2O6P13 and a molecular weight of 1266.29 g/mol. Its IUPAC name is actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one.

Molecular Properties

• Compound Name: actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one
• PubChem CID: 59041941
• Molecular Formula: C22H49Ac2O6P13
• Molecular Weight: 1266.29 g/mol
• Exact Mass: 1266.07
• IUPAC Name: actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one
• SMILES: CC1=CC(C)(C)C([C@@H](C)[C@@H]2[C@]3(O)CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@@H](C)O)C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P.[Ac].[Ac]
• InChI: InChI=1S/C22H49O6P13.2Ac/c1-11-9-20(4,5)14(7-15(11)28-36(40(35)37(29)30)41(38(31)32)39(33)34)12(2)18-21(6,19(25)13(3)23)16(24)8-17-22(18,26)10-27-17;;/h9,12-18,23-24,26H,7-8,10,29-35H2,1-6H3;;/t12-,13-,14?,15+,16+,17-,18+,21-,22+,36?,40?;;/m1../s1
• InChIKey: GFZXIENPANOSFN-SEXIZQFZSA-N
• XLogP: 9.38
• TPSA: 96.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1266.29
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one?

The IUPAC name of actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one (CID 59041941) is actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one.

What is the SMILES notation for actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one?

The canonical SMILES for actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one is CC1=CC(C)(C)C([C@@H](C)[C@@H]2[C@]3(O)CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@@H](C)O)C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P.[Ac].[Ac].

What is the InChIKey of actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one?

The InChIKey is GFZXIENPANOSFN-SEXIZQFZSA-N. The full InChI is InChI=1S/C22H49O6P13.2Ac/c1-11-9-20(4,5)14(7-15(11)28-36(40(35)37(29)30)41(38(31)32)39(33)34)12(2)18-21(6,19(25)13(3)23)16(24)8-17-22(18,26)10-27-17;;/h9,12-18,23-24,26H,7-8,10,29-35H2,1-6H3;;/t12-,13-,14?,15+,16+,17-,18+,21-,22+,36?,40?;;/m1../s1.

What are the key properties of actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one?

actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one has a molecular weight of 1266.29 g/mol, XLogP of 9.38, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;(2R)-1-[(1S,2S,3S,4S,6R)-2-[(1R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]ethyl]-1,4-dihydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-3-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 59041941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).