[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate

C61H104O28 — CID 10986071

About [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate

[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate (PubChem CID 10986071) has the molecular formula C61H104O28 and a molecular weight of 1285.47 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
• PubChem CID: 10986071
• Molecular Formula: C61H104O28
• Molecular Weight: 1285.47 g/mol
• Exact Mass: 1284.67
• IUPAC Name: [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
• SMILES: CCCCCCCCCCCCCCCCOCC(CO)(COCCOCCOCCO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)COCCOCCOCCO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C61H104O28/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-75-40-61(39-62,41-76-31-29-71-25-27-73-33-35-78-59-57(86-49(8)69)55(84-47(6)67)53(82-45(4)65)51(88-59)37-80-43(2)63)42-77-32-30-72-26-28-74-34-36-79-60-58(87-50(9)70)56(85-48(7)68)54(83-46(5)66)52(89-60)38-81-44(3)64/h51-60,62H,10-42H2,1-9H3/t51-,52-,53-,54-,55+,56+,57+,58+,59+,60+/m1/s1
• InChIKey: WBIFPPYNKDKOKK-NBTYAKHOSA-N
• XLogP: 4.76
• TPSA: 332.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 52
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1285.47
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate (CID 10986071) is [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate is CCCCCCCCCCCCCCCCOCC(CO)(COCCOCCOCCO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)COCCOCCOCCO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate?

The InChIKey is WBIFPPYNKDKOKK-NBTYAKHOSA-N. The full InChI is InChI=1S/C61H104O28/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-75-40-61(39-62,41-76-31-29-71-25-27-73-33-35-78-59-57(86-49(8)69)55(84-47(6)67)53(82-45(4)65)51(88-59)37-80-43(2)63)42-77-32-30-72-26-28-74-34-36-79-60-58(87-50(9)70)56(85-48(7)68)54(83-46(5)66)52(89-60)38-81-44(3)64/h51-60,62H,10-42H2,1-9H3/t51-,52-,53-,54-,55+,56+,57+,58+,59+,60+/m1/s1.

What are the key properties of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate?

[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate has a molecular weight of 1285.47 g/mol, XLogP of 4.76, 52 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(hexadecoxymethyl)-2-(hydroxymethyl)-3-[2-[2-[2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 10986071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).