tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid

C95H181O59P3 — CID 165019139

About tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid

tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid (PubChem CID 165019139) has the molecular formula C95H181O59P3 and a molecular weight of 2360.36 g/mol. Its IUPAC name is tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid.

Molecular Properties

• Compound Name: tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid
• PubChem CID: 165019139
• Molecular Formula: C95H181O59P3
• Molecular Weight: 2360.36 g/mol
• Exact Mass: 2359.04
• IUPAC Name: tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid
• SMILES: CC(C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OCCCCCOP(=O)(O)C(C)(C)C)C3O)C2O)C(O)C(O)C1O.CC(C)(C)OCCCCCOC1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(COCCCCOP(C)(=O)O)C(O)C(O)C3O)C2O)C1O.CC(C)(C)OCCCCOCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OCCCCCOP(C)(=O)O)C3O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/2C32H61O20P.C31H59O19P/c1-32(2,3)46-12-9-8-10-44-16-19-20(35)23(38)24(39)30(50-19)51-28-22(37)18(15-34)49-31(26(28)41)52-27-21(36)17(14-33)48-29(25(27)40)45-11-6-5-7-13-47-53(4,42)43;1-32(2,3)46-12-7-5-6-11-45-29-25(40)27(21(36)17(14-33)48-29)52-31-26(41)28(22(37)18(15-34)49-31)51-30-24(39)23(38)20(35)19(50-30)16-44-10-8-9-13-47-53(4,42)43;1-30(2,3)44-14-17-18(34)21(37)22(38)28(48-17)49-26-20(36)16(13-33)47-29(24(26)40)50-25-19(35)15(12-32)46-27(23(25)39)43-10-8-7-9-11-45-51(41,42)31(4,5)6/h2*17-31,33-41H,5-16H2,1-4H3,(H,42,43);15-29,32-40H,7-14H2,1-6H3,(H,41,42)
• InChIKey: KWXHHMJXZUUAJX-UHFFFAOYSA-N
• XLogP: -8.41
• TPSA: 898.09 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 56
• Rotatable Bonds: 58
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2360.36
LogP ≤ 5	-8.41
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	56

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 tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid?

The IUPAC name of tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid (CID 165019139) is tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid.

What is the SMILES notation for tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid?

The canonical SMILES for tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid is CC(C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OCCCCCOP(=O)(O)C(C)(C)C)C3O)C2O)C(O)C(O)C1O.CC(C)(C)OCCCCCOC1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(COCCCCOP(C)(=O)O)C(O)C(O)C3O)C2O)C1O.CC(C)(C)OCCCCOCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OCCCCCOP(C)(=O)O)C3O)C2O)C(O)C(O)C1O.

What is the InChIKey of tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid?

The InChIKey is KWXHHMJXZUUAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H61O20P.C31H59O19P/c1-32(2,3)46-12-9-8-10-44-16-19-20(35)23(38)24(39)30(50-19)51-28-22(37)18(15-34)49-31(26(28)41)52-27-21(36)17(14-33)48-29(25(27)40)45-11-6-5-7-13-47-53(4,42)43;1-32(2,3)46-12-7-5-6-11-45-29-25(40)27(21(36)17(14-33)48-29)52-31-26(41)28(22(37)18(15-34)49-31)51-30-24(39)23(38)20(35)19(50-30)16-44-10-8-9-13-47-53(4,42)43;1-30(2,3)44-14-17-18(34)21(37)22(38)28(48-17)49-26-20(36)16(13-33)47-29(24(26)40)50-25-19(35)15(12-32)46-27(23(25)39)43-10-8-7-9-11-45-51(41,42)31(4,5)6/h2*17-31,33-41H,5-16H2,1-4H3,(H,42,43);15-29,32-40H,7-14H2,1-6H3,(H,41,42).

What are the key properties of tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid?

tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid has a molecular weight of 2360.36 g/mol, XLogP of -8.41, 58 rotatable bonds, 30 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]phosphinic acid;4-[[6-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]butoxy-methylphosphinic acid;5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid is sourced from PubChem (CID 165019139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).