(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one

C20H62O5P30 — CID 58607261

About (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one

(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one (PubChem CID 58607261) has the molecular formula C20H62O5P30 and a molecular weight of 1311.93 g/mol. Its IUPAC name is (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one.

Molecular Properties

• Compound Name: (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one
• PubChem CID: 58607261
• Molecular Formula: C20H62O5P30
• Molecular Weight: 1311.93 g/mol
• Exact Mass: 1311.67
• IUPAC Name: (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one
• SMILES: C=C(CCCOP(P(P)P)P(P)P)[C@@H]1[C@H](C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C2=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@H]1O)C2(C)C
• InChI: InChI=1S/C20H62O5P30/c1-10(7-6-8-23-43(46(27)28)47(29)30)15-12(3)17(21)19(25-44(48(31)32)54(42-26)50(35)36)16-11(2)14(9-13(18(15)22)20(16,4)5)24-45(53(41)49(33)34)55(51(37)38)52(39)40/h12-15,18-19,22,42H,1,6-9,26-41H2,2-5H3/t12-,13?,14-,15+,18+,19+,44?,45?,53?,54?/m0/s1
• InChIKey: XCEKCMLYYIRXNY-ZDIXFOBBSA-N
• XLogP: 20.06
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1311.93
LogP ≤ 5	20.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?

The IUPAC name of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one (CID 58607261) is (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one.

What is the SMILES notation for (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?

The canonical SMILES for (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one is C=C(CCCOP(P(P)P)P(P)P)[C@@H]1[C@H](C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C2=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@H]1O)C2(C)C.

What is the InChIKey of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?

The InChIKey is XCEKCMLYYIRXNY-ZDIXFOBBSA-N. The full InChI is InChI=1S/C20H62O5P30/c1-10(7-6-8-23-43(46(27)28)47(29)30)15-12(3)17(21)19(25-44(48(31)32)54(42-26)50(35)36)16-11(2)14(9-13(18(15)22)20(16,4)5)24-45(53(41)49(33)34)55(51(37)38)52(39)40/h12-15,18-19,22,42H,1,6-9,26-41H2,2-5H3/t12-,13?,14-,15+,18+,19+,44?,45?,53?,54?/m0/s1.

What are the key properties of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?

(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one has a molecular weight of 1311.93 g/mol, XLogP of 20.06, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one is sourced from PubChem (CID 58607261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).