methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide)

C84H155O37P5S3 — CID 167559060

About methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide)

methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide) (PubChem CID 167559060) has the molecular formula C84H155O37P5S3 and a molecular weight of 2008.20 g/mol. Its IUPAC name is methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide).

Molecular Properties

• Compound Name: methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide)
• PubChem CID: 167559060
• Molecular Formula: C84H155O37P5S3
• Molecular Weight: 2008.20 g/mol
• Exact Mass: 2006.81
• IUPAC Name: methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide)
• SMILES: C.CC(=O)CCCCP(CCCCC(=O)O)CCCCC(=O)OC(C)C.CC(=O)CCCP(CCCC(=O)O)CCCC(=O)OC(C)C.COC(=O)CCCCP(CCCCC(=O)O)CCCCC(=O)OC(C)C.COC(=O)CCCP(CCCC(=O)O)CCCC(=O)OC(C)C.COC(=O)CCP(CCC(=O)O)CCC(=O)OC(C)C.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
• InChI: InChI=1S/C19H35O6P.C19H35O5P.C16H29O6P.C16H29O5P.C13H23O6P.CH4.3O3S/c1-16(2)25-19(23)12-6-9-15-26(13-7-4-10-17(20)21)14-8-5-11-18(22)24-3;1-16(2)24-19(23)12-6-9-15-25(13-7-4-10-17(3)20)14-8-5-11-18(21)22;1-13(2)22-16(20)9-6-12-23(10-4-7-14(17)18)11-5-8-15(19)21-3;1-13(2)21-16(20)9-6-12-22(10-4-7-14(3)17)11-5-8-15(18)19;1-10(2)19-13(17)6-9-20(7-4-11(14)15)8-5-12(16)18-3;;3*1-4(2)3/h16H,4-15H2,1-3H3,(H,20,21);16H,4-15H2,1-3H3,(H,21,22);13H,4-12H2,1-3H3,(H,17,18);13H,4-12H2,1-3H3,(H,18,19);10H,4-9H2,1-3H3,(H,14,15);1H4
• InChIKey: DKCKRJDHZMGJQJ-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 584.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 68
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.20
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide)?

The IUPAC name of methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide) (CID 167559060) is methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide).

What is the SMILES notation for methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide)?

The canonical SMILES for methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide) is C.CC(=O)CCCCP(CCCCC(=O)O)CCCCC(=O)OC(C)C.CC(=O)CCCP(CCCC(=O)O)CCCC(=O)OC(C)C.COC(=O)CCCCP(CCCCC(=O)O)CCCCC(=O)OC(C)C.COC(=O)CCCP(CCCC(=O)O)CCCC(=O)OC(C)C.COC(=O)CCP(CCC(=O)O)CCC(=O)OC(C)C.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.

What is the InChIKey of methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide)?

The InChIKey is DKCKRJDHZMGJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35O6P.C19H35O5P.C16H29O6P.C16H29O5P.C13H23O6P.CH4.3O3S/c1-16(2)25-19(23)12-6-9-15-26(13-7-4-10-17(20)21)14-8-5-11-18(22)24-3;1-16(2)24-19(23)12-6-9-15-25(13-7-4-10-17(3)20)14-8-5-11-18(21)22;1-13(2)22-16(20)9-6-12-23(10-4-7-14(17)18)11-5-8-15(19)21-3;1-13(2)21-16(20)9-6-12-22(10-4-7-14(3)17)11-5-8-15(18)19;1-10(2)19-13(17)6-9-20(7-4-11(14)15)8-5-12(16)18-3;;3*1-4(2)3/h16H,4-15H2,1-3H3,(H,20,21);16H,4-15H2,1-3H3,(H,21,22);13H,4-12H2,1-3H3,(H,17,18);13H,4-12H2,1-3H3,(H,18,19);10H,4-9H2,1-3H3,(H,14,15);1H4;;;.

What are the key properties of methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide)?

methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide) has a molecular weight of 2008.20 g/mol, XLogP of 14.72, 68 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide) is sourced from PubChem (CID 167559060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).