(2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one

C21H66O5P30 — CID 59041983

About (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one

(2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one (PubChem CID 59041983) has the molecular formula C21H66O5P30 and a molecular weight of 1327.97 g/mol. Its IUPAC name is (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one.

Molecular Properties

• Compound Name: (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one
• PubChem CID: 59041983
• Molecular Formula: C21H66O5P30
• Molecular Weight: 1327.97 g/mol
• Exact Mass: 1327.70
• IUPAC Name: (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one
• SMILES: C=C(CCCOP(P(P)P)P(P)P)[C@H]([C@H](C)C(=O)[C@@H](C)OP(P(P)P)P(PP)P(P)P)[C@H](O)C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C
• InChI: InChI=1S/C21H66O5P30/c1-12(8-7-9-24-44(47(28)29)48(30)31)18(14(3)19(22)15(4)25-45(49(32)33)55(43-27)51(36)37)20(23)16-10-17(13(2)11-21(16,5)6)26-46(54(42)50(34)35)56(52(38)39)53(40)41/h11,14-18,20,23,43H,1,7-10,27-42H2,2-6H3/t14-,15+,16?,17-,18+,20+,45?,46?,54?,55?/m0/s1
• InChIKey: FCRBJWSKZWTTPA-VVWACPFSSA-N
• XLogP: 20.70
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 26
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.97
LogP ≤ 5	20.70
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)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one?

The IUPAC name of (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one (CID 59041983) is (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one.

What is the SMILES notation for (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one?

The canonical SMILES for (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one is C=C(CCCOP(P(P)P)P(P)P)[C@H]([C@H](C)C(=O)[C@@H](C)OP(P(P)P)P(PP)P(P)P)[C@H](O)C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C.

What is the InChIKey of (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one?

The InChIKey is FCRBJWSKZWTTPA-VVWACPFSSA-N. The full InChI is InChI=1S/C21H66O5P30/c1-12(8-7-9-24-44(47(28)29)48(30)31)18(14(3)19(22)15(4)25-45(49(32)33)55(43-27)51(36)37)20(23)16-10-17(13(2)11-21(16,5)6)26-46(54(42)50(34)35)56(52(38)39)53(40)41/h11,14-18,20,23,43H,1,7-10,27-42H2,2-6H3/t14-,15+,16?,17-,18+,20+,45?,46?,54?,55?/m0/s1.

What are the key properties of (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one?

(2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one has a molecular weight of 1327.97 g/mol, XLogP of 20.70, 26 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S)-5-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-hydroxymethyl]-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4-methyl-6-methylidenenonan-3-one is sourced from PubChem (CID 59041983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).