[(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate

C22H64O8P32 — CID 58607260

About [(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate

[(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate (PubChem CID 58607260) has the molecular formula C22H64O8P32 and a molecular weight of 1447.91 g/mol. Its IUPAC name is [(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate.

Molecular Properties

• Compound Name: [(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate
• PubChem CID: 58607260
• Molecular Formula: C22H64O8P32
• Molecular Weight: 1447.91 g/mol
• Exact Mass: 1447.62
• IUPAC Name: [(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate
• SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](OP(P(P)P)P(P)P)[C@@]1(C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C3=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@@H](OPP)[C@H]21)C3(C)C
• InChI: InChI=1S/C22H64O8P32/c1-9-12(28-52(60(47)56(39)40)62(58(43)44)59(45)46)6-11-16(27-48-31)18-21(5,13(29-50(53(33)34)54(35)36)7-14-22(18,8-25-14)26-10(2)23)19(24)17(15(9)20(11,3)4)30-51(55(37)38)61(49-32)57(41)42/h11-14,16-18,48-49H,6-8,31-47H2,1-5H3/t11?,12-,13-,14+,16+,17+,18-,21+,22-,51?,52?,60?,61?/m0/s1
• InChIKey: UXAYHADZDMOPQT-UOCNLXNASA-N
• XLogP: 19.98
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1447.91
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	0
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 [(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate?

The IUPAC name of [(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate (CID 58607260) is [(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate.

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

The canonical SMILES for [(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate is CC(=O)O[C@@]12CO[C@@H]1C[C@H](OP(P(P)P)P(P)P)[C@@]1(C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C3=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@@H](OPP)[C@H]21)C3(C)C.

What is the InChIKey of [(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate?

The InChIKey is UXAYHADZDMOPQT-UOCNLXNASA-N. The full InChI is InChI=1S/C22H64O8P32/c1-9-12(28-52(60(47)56(39)40)62(58(43)44)59(45)46)6-11-16(27-48-31)18-21(5,13(29-50(53(33)34)54(35)36)7-14-22(18,8-25-14)26-10(2)23)19(24)17(15(9)20(11,3)4)30-51(55(37)38)61(49-32)57(41)42/h11-14,16-18,48-49H,6-8,31-47H2,1-5H3/t11?,12-,13-,14+,16+,17+,18-,21+,22-,51?,52?,60?,61?/m0/s1.

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

[(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate has a molecular weight of 1447.91 g/mol, XLogP of 19.98, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(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-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate is sourced from PubChem (CID 58607260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).