(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C83H164O17 — CID 10772824

About (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 10772824) has the molecular formula C83H164O17 and a molecular weight of 1434.21 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 10772824
• Molecular Formula: C83H164O17
• Molecular Weight: 1434.21 g/mol
• Exact Mass: 1433.20
• IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COCCOCCOCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(COCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
• InChI: InChI=1S/C83H164O17/c1-61(2)25-16-28-64(7)31-19-34-67(10)37-22-40-70(13)43-46-93-57-83(58-94-47-44-71(14)41-23-38-68(11)35-20-32-65(8)29-17-26-62(3)4,59-95-48-45-72(15)42-24-39-69(12)36-21-33-66(9)30-18-27-63(5)6)60-96-52-51-91-49-50-92-53-54-97-81-79(90)77(88)80(74(56-85)99-81)100-82-78(89)76(87)75(86)73(55-84)98-82/h61-82,84-90H,16-60H2,1-15H3/t64?,65?,66?,67?,68?,69?,70?,71?,72?,73-,74-,75+,76+,77-,78-,79-,80-,81-,82+,83?/m1/s1
• InChIKey: MORRFIMTXQRWSB-FWKRVMEWSA-N
• XLogP: 16.11
• TPSA: 233.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 67
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1434.21
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 10772824) is (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COCCOCCOCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(COCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C.

What is the InChIKey of (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is MORRFIMTXQRWSB-FWKRVMEWSA-N. The full InChI is InChI=1S/C83H164O17/c1-61(2)25-16-28-64(7)31-19-34-67(10)37-22-40-70(13)43-46-93-57-83(58-94-47-44-71(14)41-23-38-68(11)35-20-32-65(8)29-17-26-62(3)4,59-95-48-45-72(15)42-24-39-69(12)36-21-33-66(9)30-18-27-63(5)6)60-96-52-51-91-49-50-92-53-54-97-81-79(90)77(88)80(74(56-85)99-81)100-82-78(89)76(87)75(86)73(55-84)98-82/h61-82,84-90H,16-60H2,1-15H3/t64?,65?,66?,67?,68?,69?,70?,71?,72?,73-,74-,75+,76+,77-,78-,79-,80-,81-,82+,83?/m1/s1.

What are the key properties of (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1434.21 g/mol, XLogP of 16.11, 67 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[2-[2-[3-(3,7,11,15-tetramethylhexadecoxy)-2,2-bis(3,7,11,15-tetramethylhexadecoxymethyl)propoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 10772824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).