[2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon

C28H50Ar3O3P+ — CID 158950806

About [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon

[2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon (PubChem CID 158950806) has the molecular formula C28H50Ar3O3P+ and a molecular weight of 585.52 g/mol. Its IUPAC name is [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon.

Molecular Properties

• Compound Name: [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon
• PubChem CID: 158950806
• Molecular Formula: C28H50Ar3O3P+
• Molecular Weight: 585.52 g/mol
• Exact Mass: 585.24
• IUPAC Name: [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon
• SMILES: C[C@@H]1[C@H]2CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)C[PH3+])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC[C@]1(C)CO.[Ar].[Ar].[Ar]
• InChI: InChI=1S/C28H49O3P.3Ar/c1-18-19-8-9-21-26(5)12-11-22(31-23(30)16-32)24(2,3)20(26)10-13-28(21,7)27(19,6)15-14-25(18,4)17-29;;;/h18-22,29H,8-17,32H2,1-7H3;;;/p+1/t18-,19-,20+,21-,22+,25-,26+,27-,28-;;;/m1.../s1
• InChIKey: JLKBZZWTFMXWBM-DWTVLHBOSA-O
• XLogP: 6.21
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.52
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon?

The IUPAC name of [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon (CID 158950806) is [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon.

What is the SMILES notation for [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon?

The canonical SMILES for [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon is C[C@@H]1[C@H]2CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)C[PH3+])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC[C@]1(C)CO.[Ar].[Ar].[Ar].

What is the InChIKey of [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon?

The InChIKey is JLKBZZWTFMXWBM-DWTVLHBOSA-O. The full InChI is InChI=1S/C28H49O3P.3Ar/c1-18-19-8-9-21-26(5)12-11-22(31-23(30)16-32)24(2,3)20(26)10-13-28(21,7)27(19,6)15-14-25(18,4)17-29;;;/h18-22,29H,8-17,32H2,1-7H3;;;/p+1/t18-,19-,20+,21-,22+,25-,26+,27-,28-;;;/m1.../s1.

What are the key properties of [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon?

[2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon has a molecular weight of 585.52 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aR)-8-(hydroxymethyl)-1,1,4a,7,8,10a,10b-heptamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-2-oxoethyl]phosphanium;argon is sourced from PubChem (CID 158950806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).