actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one

C20H52Ac2O7P22 — CID 59094321

About actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one

actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one (PubChem CID 59094321) has the molecular formula C20H52Ac2O7P22 and a molecular weight of 1540.06 g/mol. Its IUPAC name is actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one.

Molecular Properties

• Compound Name: actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one
• PubChem CID: 59094321
• Molecular Formula: C20H52Ac2O7P22
• Molecular Weight: 1540.06 g/mol
• Exact Mass: 1539.85
• IUPAC Name: actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one
• SMILES: CC1=C2[C@@H](O)C(=O)[C@]3(C)[C@@H](OP(P(P)P)P(P)P)C[C@H]4OC[C@@]4(O)[C@H]3[C@H](OPP)C(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.[Ac].[Ac]
• InChI: InChI=1S/C20H52O7P22.2Ac/c1-8-10(26-42(48(39)45(33)34)49(46(35)36)47(37)38)5-9-15(25-40-28)16-19(4,17(22)14(21)13(8)18(9,2)3)11(6-12-20(16,23)7-24-12)27-41(43(29)30)44(31)32;;/h9-12,14-16,21,23,40H,5-7,28-39H2,1-4H3;;/t9?,10-,11-,12+,14+,15+,16-,19+,20-,42?,48?;;/m0../s1
• InChIKey: XOICKAZGWWBJJY-XWIGBGFXSA-N
• XLogP: 13.25
• TPSA: 94.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1540.06
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one?

The IUPAC name of actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one (CID 59094321) is actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one.

What is the SMILES notation for actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one?

The canonical SMILES for actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one is CC1=C2[C@@H](O)C(=O)[C@]3(C)[C@@H](OP(P(P)P)P(P)P)C[C@H]4OC[C@@]4(O)[C@H]3[C@H](OPP)C(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.[Ac].[Ac].

What is the InChIKey of actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one?

The InChIKey is XOICKAZGWWBJJY-XWIGBGFXSA-N. The full InChI is InChI=1S/C20H52O7P22.2Ac/c1-8-10(26-42(48(39)45(33)34)49(46(35)36)47(37)38)5-9-15(25-40-28)16-19(4,17(22)14(21)13(8)18(9,2)3)11(6-12-20(16,23)7-24-12)27-41(43(29)30)44(31)32;;/h9-12,14-16,21,23,40H,5-7,28-39H2,1-4H3;;/t9?,10-,11-,12+,14+,15+,16-,19+,20-,42?,48?;;/m0../s1.

What are the key properties of actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one?

actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one has a molecular weight of 1540.06 g/mol, XLogP of 13.25, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one is sourced from PubChem (CID 59094321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).