[[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate

C23H68O8P30 — CID 59041968

About [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate

[[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate (PubChem CID 59041968) has the molecular formula C23H68O8P30 and a molecular weight of 1402.01 g/mol. Its IUPAC name is [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate.

Molecular Properties

• Compound Name: [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate
• PubChem CID: 59041968
• Molecular Formula: C23H68O8P30
• Molecular Weight: 1402.01 g/mol
• Exact Mass: 1401.70
• IUPAC Name: [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate
• SMILES: CC(=O)OC(C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C)C1[C@](C)([C@H](O)[C@@H](C)OP(P(P)P)P(PP)P(P)P)[C@@H](OP(P(P)P)P(P)P)C[C@H]2OC[C@@]12O
• InChI: InChI=1S/C23H68O8P30/c1-11-9-21(4,5)14(7-15(11)30-51(59(47)55(39)40)61(57(43)44)58(45)46)18(28-13(3)24)19-22(6,20(25)12(2)29-50(54(37)38)60(48-32)56(41)42)16(8-17-23(19,26)10-27-17)31-49(52(33)34)53(35)36/h9,12,14-20,25-26,48H,7-8,10,32-47H2,1-6H3/t12-,14?,15+,16+,17-,18?,19?,20-,22-,23+,50?,51?,59?,60?/m1/s1
• InChIKey: QKAWIHSNGCZERN-LFTSNWBXSA-N
• XLogP: 19.00
• TPSA: 103.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1402.01
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	2
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 [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate?

The IUPAC name of [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate (CID 59041968) is [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate.

What is the SMILES notation for [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate?

The canonical SMILES for [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate is CC(=O)OC(C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C)C1[C@](C)([C@H](O)[C@@H](C)OP(P(P)P)P(PP)P(P)P)[C@@H](OP(P(P)P)P(P)P)C[C@H]2OC[C@@]12O.

What is the InChIKey of [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate?

The InChIKey is QKAWIHSNGCZERN-LFTSNWBXSA-N. The full InChI is InChI=1S/C23H68O8P30/c1-11-9-21(4,5)14(7-15(11)30-51(59(47)55(39)40)61(57(43)44)58(45)46)18(28-13(3)24)19-22(6,20(25)12(2)29-50(54(37)38)60(48-32)56(41)42)16(8-17-23(19,26)10-27-17)31-49(52(33)34)53(35)36/h9,12,14-20,25-26,48H,7-8,10,32-47H2,1-6H3/t12-,14?,15+,16+,17-,18?,19?,20-,22-,23+,50?,51?,59?,60?/m1/s1.

What are the key properties of [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate?

[[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate has a molecular weight of 1402.01 g/mol, XLogP of 19.00, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3R,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-3-[(1S,2R)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1-hydroxypropyl]-1-hydroxy-3-methyl-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate is sourced from PubChem (CID 59041968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).