(2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione

C21H60O7P30 — CID 58607263

About (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione

(2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione (PubChem CID 58607263) has the molecular formula C21H60O7P30 and a molecular weight of 1353.92 g/mol. Its IUPAC name is (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione.

Molecular Properties

• Compound Name: (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione
• PubChem CID: 58607263
• Molecular Formula: C21H60O7P30
• Molecular Weight: 1353.92 g/mol
• Exact Mass: 1353.65
• IUPAC Name: (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione
• SMILES: C=C(CCCOP(P(P)P)P(P)P)[C@@]12OC(=O)O[C@@H]1C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)C(=O)[C@H]2C)C1(C)C
• InChI: InChI=1S/C21H60O7P30/c1-10(7-6-8-24-46(49(30)31)50(32)33)21-12(3)16(22)17(28-47(51(34)35)57(45-29)53(38)39)15-11(2)14(9-13(20(15,4)5)18(21)25-19(23)26-21)27-48(56(44)52(36)37)58(54(40)41)55(42)43/h12-14,17-18,45H,1,6-9,29-44H2,2-5H3/t12-,13?,14+,17-,18-,21+,47?,48?,56?,57?/m1/s1
• InChIKey: RUTCMWSAFUXBBT-UDTBPNSKSA-N
• XLogP: 20.36
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 21
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1353.92
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione?

The IUPAC name of (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione (CID 58607263) is (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione.

What is the SMILES notation for (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione?

The canonical SMILES for (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione is C=C(CCCOP(P(P)P)P(P)P)[C@@]12OC(=O)O[C@@H]1C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)C(=O)[C@H]2C)C1(C)C.

What is the InChIKey of (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione?

The InChIKey is RUTCMWSAFUXBBT-UDTBPNSKSA-N. The full InChI is InChI=1S/C21H60O7P30/c1-10(7-6-8-24-46(49(30)31)50(32)33)21-12(3)16(22)17(28-47(51(34)35)57(45-29)53(38)39)15-11(2)14(9-13(20(15,4)5)18(21)25-19(23)26-21)27-48(56(44)52(36)37)58(54(40)41)55(42)43/h12-14,17-18,45H,1,6-9,29-44H2,2-5H3/t12-,13?,14+,17-,18-,21+,47?,48?,56?,57?/m1/s1.

What are the key properties of (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione?

(2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione has a molecular weight of 1353.92 g/mol, XLogP of 20.36, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6R,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-ene-4,8-dione is sourced from PubChem (CID 58607263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).