(2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one

C15H58O5P34 — CID 59068260

About (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one

(2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one (PubChem CID 59068260) has the molecular formula C15H58O5P34 and a molecular weight of 1371.74 g/mol. Its IUPAC name is (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one.

Molecular Properties

• Compound Name: (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
• PubChem CID: 59068260
• Molecular Formula: C15H58O5P34
• Molecular Weight: 1371.74 g/mol
• Exact Mass: 1371.54
• IUPAC Name: (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
• SMILES: CC1=C2[C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)C(=O)[C@H](OPP)C(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
• InChI: InChI=1S/C15H58O5P34/c1-6-9(18-43(52(38)47(29)30)54(49(33)34)50(35)36)5-8-13(17-39-21)11(16)7(2)12(19-41(44(23)24)51(37)46(27)28)14(10(6)15(8,3)4)20-42(45(25)26)53(40-22)48(31)32/h7-9,12-14,39-40H,5,21-38H2,1-4H3/t7-,8?,9-,12+,13+,14+,41?,42?,43?,51?,52?,53?/m0/s1
• InChIKey: SBOHYPDYIWSGMW-ZKTFBNQBSA-N
• XLogP: 21.07
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1371.74
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

The IUPAC name of (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one (CID 59068260) is (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one.

What is the SMILES notation for (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

The canonical SMILES for (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one is CC1=C2[C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)C(=O)[C@H](OPP)C(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.

What is the InChIKey of (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

The InChIKey is SBOHYPDYIWSGMW-ZKTFBNQBSA-N. The full InChI is InChI=1S/C15H58O5P34/c1-6-9(18-43(52(38)47(29)30)54(49(33)34)50(35)36)5-8-13(17-39-21)11(16)7(2)12(19-41(44(23)24)51(37)46(27)28)14(10(6)15(8,3)4)20-42(45(25)26)53(40-22)48(31)32/h7-9,12-14,39-40H,5,21-38H2,1-4H3/t7-,8?,9-,12+,13+,14+,41?,42?,43?,51?,52?,53?/m0/s1.

What are the key properties of (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

(2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one has a molecular weight of 1371.74 g/mol, XLogP of 21.07, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one is sourced from PubChem (CID 59068260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).