actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate

C23H58Ac2O8P20 — CID 59041952

About actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate

actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate (PubChem CID 59041952) has the molecular formula C23H58Ac2O8P20 and a molecular weight of 1536.19 g/mol. Its IUPAC name is actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate.

Molecular Properties

• Compound Name: actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate
• PubChem CID: 59041952
• Molecular Formula: C23H58Ac2O8P20
• Molecular Weight: 1536.19 g/mol
• Exact Mass: 1535.94
• IUPAC Name: actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate
• SMILES: CC(=O)OC(C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C)C1[C@](C)([C@H](O)[C@@H](C)O)[C@@H](OP(P(P)P)P(P)P)C[C@H]2OC[C@@]12O.[Ac].[Ac]
• InChI: InChI=1S/C23H58O8P20.2Ac/c1-11-9-21(4,5)14(7-15(11)30-44(50(42)47(36)37)51(48(38)39)49(40)41)18(29-13(3)25)19-22(6,20(26)12(2)24)16(8-17-23(19,27)10-28-17)31-43(45(32)33)46(34)35;;/h9,12,14-20,24,26-27H,7-8,10,32-42H2,1-6H3;;/t12-,14?,15+,16+,17-,18?,19?,20-,22-,23+,44?,50?;;/m1../s1
• InChIKey: BGVDPJVERGIIOJ-LFJGMCEJSA-N
• XLogP: 12.84
• TPSA: 114.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1536.19
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate?

The IUPAC name of actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate (CID 59041952) is actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate.

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

The canonical SMILES for actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate is CC(=O)OC(C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C)C1[C@](C)([C@H](O)[C@@H](C)O)[C@@H](OP(P(P)P)P(P)P)C[C@H]2OC[C@@]12O.[Ac].[Ac].

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

The InChIKey is BGVDPJVERGIIOJ-LFJGMCEJSA-N. The full InChI is InChI=1S/C23H58O8P20.2Ac/c1-11-9-21(4,5)14(7-15(11)30-44(50(42)47(36)37)51(48(38)39)49(40)41)18(29-13(3)25)19-22(6,20(26)12(2)24)16(8-17-23(19,27)10-28-17)31-43(45(32)33)46(34)35;;/h9,12,14-20,24,26-27H,7-8,10,32-42H2,1-6H3;;/t12-,14?,15+,16+,17-,18?,19?,20-,22-,23+,44?,50?;;/m1../s1.

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

actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate has a molecular weight of 1536.19 g/mol, XLogP of 12.84, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-1,2-dihydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate is sourced from PubChem (CID 59041952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).