bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane

C90H182N3O46P5+2 — CID 165025046

About bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane

bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane (PubChem CID 165025046) has the molecular formula C90H182N3O46P5+2 and a molecular weight of 2197.29 g/mol. Its IUPAC name is bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane.

Molecular Properties

• Compound Name: bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane
• PubChem CID: 165025046
• Molecular Formula: C90H182N3O46P5+2
• Molecular Weight: 2197.29 g/mol
• Exact Mass: 2196.07
• IUPAC Name: bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane
• SMILES: CC(=O)NC1C(OCCOC(C)(C)C)OC(COCCO[P+](=O)O)C(O)C1O.CC(=O)NC1C(OCCOC(C)(C)C)OC(COP(=O)(O)C(C)(C)C)C(O)C1O.CC(=O)NC1C(OCCOC(C)(C)C)OC(COP(=O)(O)C(C)(C)C)C(O)C1O.CC(C)(C)OCCOC1OC(COCCOP(=O)(O)C(C)(C)C)C(O)C(O)C1O.CC(C)(C)OCCOC1OC(CO[P+](=O)C(C)(C)C)C(O)C(O)C1O.CC(C)C
• InChI: InChI=1S/2C18H36NO9P.C18H37O10P.C16H30NO10P.C16H32O8P.C4H10/c2*1-11(20)19-13-15(22)14(21)12(10-27-29(23,24)18(5,6)7)28-16(13)25-8-9-26-17(2,3)4;1-17(2,3)26-9-8-25-16-15(21)14(20)13(19)12(28-16)11-24-7-10-27-29(22,23)18(4,5)6;1-10(18)17-12-14(20)13(19)11(9-23-5-8-26-28(21)22)27-15(12)24-6-7-25-16(2,3)4;1-15(2,3)22-8-7-21-14-13(19)12(18)11(17)10(24-14)9-23-25(20)16(4,5)6;1-4(2)3/h2*12-16,21-22H,8-10H2,1-7H3,(H,19,20)(H,23,24);12-16,19-21H,7-11H2,1-6H3,(H,22,23);11-15,19-20H,5-9H2,1-4H3,(H-,17,18,21,22);10-14,17-19H,7-9H2,1-6H3;4H,1-3H3/q;;;;+1;/p+1
• InChIKey: WPPGRQFVWAJYHF-UHFFFAOYSA-O
• XLogP: 4.48
• TPSA: 699.39 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 42
• Rotatable Bonds: 44
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2197.29
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane?

The IUPAC name of bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane (CID 165025046) is bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane.

What is the SMILES notation for bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane?

The canonical SMILES for bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane is CC(=O)NC1C(OCCOC(C)(C)C)OC(COCCO[P+](=O)O)C(O)C1O.CC(=O)NC1C(OCCOC(C)(C)C)OC(COP(=O)(O)C(C)(C)C)C(O)C1O.CC(=O)NC1C(OCCOC(C)(C)C)OC(COP(=O)(O)C(C)(C)C)C(O)C1O.CC(C)(C)OCCOC1OC(COCCOP(=O)(O)C(C)(C)C)C(O)C(O)C1O.CC(C)(C)OCCOC1OC(CO[P+](=O)C(C)(C)C)C(O)C(O)C1O.CC(C)C.

What is the InChIKey of bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane?

The InChIKey is WPPGRQFVWAJYHF-UHFFFAOYSA-O. The full InChI is InChI=1S/2C18H36NO9P.C18H37O10P.C16H30NO10P.C16H32O8P.C4H10/c2*1-11(20)19-13-15(22)14(21)12(10-27-29(23,24)18(5,6)7)28-16(13)25-8-9-26-17(2,3)4;1-17(2,3)26-9-8-25-16-15(21)14(20)13(19)12(28-16)11-24-7-10-27-29(22,23)18(4,5)6;1-10(18)17-12-14(20)13(19)11(9-23-5-8-26-28(21)22)27-15(12)24-6-7-25-16(2,3)4;1-15(2,3)22-8-7-21-14-13(19)12(18)11(17)10(24-14)9-23-25(20)16(4,5)6;1-4(2)3/h2*12-16,21-22H,8-10H2,1-7H3,(H,19,20)(H,23,24);12-16,19-21H,7-11H2,1-6H3,(H,22,23);11-15,19-20H,5-9H2,1-4H3,(H-,17,18,21,22);10-14,17-19H,7-9H2,1-6H3;4H,1-3H3/q;;;;+1;/p+1.

What are the key properties of bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane?

bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane has a molecular weight of 2197.29 g/mol, XLogP of 4.48, 44 rotatable bonds, 19 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for bis([5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid);2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium;tert-butyl-oxo-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]phosphanium;tert-butyl-[2-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy]phosphinic acid;2-methylpropane is sourced from PubChem (CID 165025046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).