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

C101H193O59P3 — CID 167621500

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

tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid (PubChem CID 167621500) has the molecular formula C101H193O59P3 and a molecular weight of 2444.52 g/mol. Its IUPAC name is tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid.

Molecular Properties

• Compound Name: tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid
• PubChem CID: 167621500
• Molecular Formula: C101H193O59P3
• Molecular Weight: 2444.52 g/mol
• Exact Mass: 2443.13
• IUPAC Name: tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid
• SMILES: CC(C)(C)OCC1OC(OCC2OC(OCC3OC(OCCCCCOP(=O)(O)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.CC(C)(C)OCCCCCOC1OC(COC2OC(COC3OC(COCCCCOP(=O)(O)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.CC(C)(C)OCCCCOCC1OC(OCC2OC(OCC3OC(OCCCCCOP(=O)(O)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/2C35H67O20P.C31H59O19P/c1-34(2,3)51-14-11-10-12-47-16-19-22(36)25(39)29(43)32(53-19)49-18-21-24(38)27(41)30(44)33(55-21)50-17-20-23(37)26(40)28(42)31(54-20)48-13-8-7-9-15-52-56(45,46)35(4,5)6;1-34(2,3)51-14-9-7-8-13-48-31-28(42)26(40)23(37)20(54-31)17-50-33-30(44)27(41)24(38)21(55-33)18-49-32-29(43)25(39)22(36)19(53-32)16-47-12-10-11-15-52-56(45,46)35(4,5)6;1-30(2,3)46-14-17-20(34)23(37)26(40)29(50-17)45-13-16-19(33)22(36)25(39)28(49-16)44-12-15-18(32)21(35)24(38)27(48-15)43-10-8-7-9-11-47-51(41,42)31(4,5)6/h2*19-33,36-44H,7-18H2,1-6H3,(H,45,46);15-29,32-40H,7-14H2,1-6H3,(H,41,42)
• InChIKey: MMSNBCVYDVAZMZ-UHFFFAOYSA-N
• XLogP: -6.07
• TPSA: 898.09 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 56
• Rotatable Bonds: 58
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2444.52
LogP ≤ 5	-6.07
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-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid?

The IUPAC name of tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid (CID 167621500) is tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid.

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

The canonical SMILES for tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid is CC(C)(C)OCC1OC(OCC2OC(OCC3OC(OCCCCCOP(=O)(O)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.CC(C)(C)OCCCCCOC1OC(COC2OC(COC3OC(COCCCCOP(=O)(O)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.CC(C)(C)OCCCCOCC1OC(OCC2OC(OCC3OC(OCCCCCOP(=O)(O)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O.

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

The InChIKey is MMSNBCVYDVAZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H67O20P.C31H59O19P/c1-34(2,3)51-14-11-10-12-47-16-19-22(36)25(39)29(43)32(53-19)49-18-21-24(38)27(41)30(44)33(55-21)50-17-20-23(37)26(40)28(42)31(54-20)48-13-8-7-9-15-52-56(45,46)35(4,5)6;1-34(2,3)51-14-9-7-8-13-48-31-28(42)26(40)23(37)20(54-31)17-50-33-30(44)27(41)24(38)21(55-33)18-49-32-29(43)25(39)22(36)19(53-32)16-47-12-10-11-15-52-56(45,46)35(4,5)6;1-30(2,3)46-14-17-20(34)23(37)26(40)29(50-17)45-13-16-19(33)22(36)25(39)28(49-16)44-12-15-18(32)21(35)24(38)27(48-15)43-10-8-7-9-11-47-51(41,42)31(4,5)6/h2*19-33,36-44H,7-18H2,1-6H3,(H,45,46);15-29,32-40H,7-14H2,1-6H3,(H,41,42).

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

tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid has a molecular weight of 2444.52 g/mol, XLogP of -6.07, 58 rotatable bonds, 30 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxypentoxy]phosphinic acid;tert-butyl-[4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-[(2-methylpropan-2-yl)oxy]pentoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxy]phosphinic acid is sourced from PubChem (CID 167621500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).