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

C24H56O9P22 — CID 58607268

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

[(2R,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate (PubChem CID 58607268) has the molecular formula C24H56O9P22 and a molecular weight of 1170.13 g/mol. Its IUPAC name is [(2R,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate
• PubChem CID: 58607268
• Molecular Formula: C24H56O9P22
• Molecular Weight: 1170.13 g/mol
• Exact Mass: 1169.82
• IUPAC Name: [(2R,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate
• SMILES: CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OP(P(P)P)P(P)P)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OPP)C2C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C1C2(C)C
• InChI: InChI=1S/C24H56O9P22/c1-10-14(32-48(54(45)51(39)40)55(52(41)42)53(43)44)7-13-18(31-46-34)20-23(6,21(27)19(29-11(2)25)17(10)22(13,4)5)15(33-47(49(35)36)50(37)38)8-16-24(20,9-28-16)30-12(3)26/h13-16,18-20,46H,7-9,34-45H2,1-6H3/t13?,14-,15-,16+,18+,19+,20-,23+,24-,48?,54?/m0/s1
• InChIKey: UEGOXXFMNQGXAA-JPLXGJCFSA-N
• XLogP: 14.39
• TPSA: 106.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1170.13
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of [(2R,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate (CID 58607268) is [(2R,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate.

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

The canonical SMILES for [(2R,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate is CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OP(P(P)P)P(P)P)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OPP)C2C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C1C2(C)C.

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

The InChIKey is UEGOXXFMNQGXAA-JPLXGJCFSA-N. The full InChI is InChI=1S/C24H56O9P22/c1-10-14(32-48(54(45)51(39)40)55(52(41)42)53(43)44)7-13-18(31-46-34)20-23(6,21(27)19(29-11(2)25)17(10)22(13,4)5)15(33-47(49(35)36)50(37)38)8-16-24(20,9-28-16)30-12(3)26/h13-16,18-20,46H,7-9,34-45H2,1-6H3/t13?,14-,15-,16+,18+,19+,20-,23+,24-,48?,54?/m0/s1.

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

[(2R,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate has a molecular weight of 1170.13 g/mol, XLogP of 14.39, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate is sourced from PubChem (CID 58607268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).