(1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one

C16H60O5P32 — CID 59041984

About (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one

(1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one (PubChem CID 59041984) has the molecular formula C16H60O5P32 and a molecular weight of 1323.82 g/mol. Its IUPAC name is (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one.

Molecular Properties

• Compound Name: (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one
• PubChem CID: 59041984
• Molecular Formula: C16H60O5P32
• Molecular Weight: 1323.82 g/mol
• Exact Mass: 1323.60
• IUPAC Name: (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one
• SMILES: CC1=CC(C)(C)C([C@@H](O)C(=O)[C@H](C)[C@@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)OP(P(P)P)P(PP)P(P)P)C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P
• InChI: InChI=1S/C16H60O5P32/c1-8-7-16(4,5)11(6-12(8)20-42(51(38)46(29)30)53(48(33)34)49(35)36)14(18)13(17)9(2)15(21-40(43(23)24)50(37)45(27)28)10(3)19-41(44(25)26)52(39-22)47(31)32/h7,9-12,14-15,18,39H,6,22-38H2,1-5H3/t9-,10+,11?,12-,14+,15+,40?,41?,42?,50?,51?,52?/m0/s1
• InChIKey: WJQFWYDXFYSATQ-PUKHAAFUSA-N
• XLogP: 20.30
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 23
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1323.82
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	1
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 (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one?

The IUPAC name of (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one (CID 59041984) is (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one.

What is the SMILES notation for (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one?

The canonical SMILES for (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one is CC1=CC(C)(C)C([C@@H](O)C(=O)[C@H](C)[C@@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)OP(P(P)P)P(PP)P(P)P)C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P.

What is the InChIKey of (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one?

The InChIKey is WJQFWYDXFYSATQ-PUKHAAFUSA-N. The full InChI is InChI=1S/C16H60O5P32/c1-8-7-16(4,5)11(6-12(8)20-42(51(38)46(29)30)53(48(33)34)49(35)36)14(18)13(17)9(2)15(21-40(43(23)24)50(37)45(27)28)10(3)19-41(44(25)26)52(39-22)47(31)32/h7,9-12,14-15,18,39H,6,22-38H2,1-5H3/t9-,10+,11?,12-,14+,15+,40?,41?,42?,50?,51?,52?/m0/s1.

What are the key properties of (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one?

(1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one has a molecular weight of 1323.82 g/mol, XLogP of 20.30, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3R,4R,5R)-1-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-1-hydroxy-3-methylhexan-2-one is sourced from PubChem (CID 59041984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).