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

C23H56O7P20 — CID 59041977

About [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate (PubChem CID 59041977) has the molecular formula C23H56O7P20 and a molecular weight of 1064.17 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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate
• PubChem CID: 59041977
• Molecular Formula: C23H56O7P20
• Molecular Weight: 1064.17 g/mol
• Exact Mass: 1063.88
• IUPAC Name: [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate
• SMILES: CC(=O)C[C@@]1(C)C(C(OC(C)=O)C2C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC2(C)C)[C@]2(O)CO[C@@H]2C[C@@H]1OP(P(P)P)P(P)P
• InChI: InChI=1S/C23H56O7P20/c1-12-9-21(4,5)15(7-16(12)29-43(49(41)46(35)36)50(47(37)38)48(39)40)19(28-14(3)25)20-22(6,10-13(2)24)17(8-18-23(20,26)11-27-18)30-42(44(31)32)45(33)34/h9,15-20,26H,7-8,10-11,31-41H2,1-6H3/t15?,16-,17-,18+,19?,20?,22+,23-,43?,49?/m0/s1
• InChIKey: JORIXJLIIGMPIR-HIKNPKFOSA-N
• XLogP: 14.08
• TPSA: 91.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.17
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate (CID 59041977) is [[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-[(1S,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate is CC(=O)C[C@@]1(C)C(C(OC(C)=O)C2C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC2(C)C)[C@]2(O)CO[C@@H]2C[C@@H]1OP(P(P)P)P(P)P.

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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate?

The InChIKey is JORIXJLIIGMPIR-HIKNPKFOSA-N. The full InChI is InChI=1S/C23H56O7P20/c1-12-9-21(4,5)15(7-16(12)29-43(49(41)46(35)36)50(47(37)38)48(39)40)19(28-14(3)25)20-22(6,10-13(2)24)17(8-18-23(20,26)11-27-18)30-42(44(31)32)45(33)34/h9,15-20,26H,7-8,10-11,31-41H2,1-6H3/t15?,16-,17-,18+,19?,20?,22+,23-,43?,49?/m0/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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate has a molecular weight of 1064.17 g/mol, XLogP of 14.08, 16 rotatable bonds, 1 hydrogen bond donors, and 7 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,3S,4S,6R)-4-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-hydroxy-3-methyl-3-(2-oxopropyl)-7-oxabicyclo[4.2.0]octan-2-yl]methyl] acetate is sourced from PubChem (CID 59041977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).