N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide

C88H156N10O52 — CID 53482534

About N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide

N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide (PubChem CID 53482534) has the molecular formula C88H156N10O52 and a molecular weight of 2186.23 g/mol. Its IUPAC name is N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide
• PubChem CID: 53482534
• Molecular Formula: C88H156N10O52
• Molecular Weight: 2186.23 g/mol
• Exact Mass: 2184.99
• IUPAC Name: N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide
• SMILES: CC(=O)N[C@H]1[C@H](OCCOCCNC(=O)CN(CCCCCCCCN(CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)C(O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
• InChI: InChI=1S/C88H156N10O52/c1-41(107)93-57-65(119)77(147-85-73(127)69(123)61(115)45(33-99)139-85)49(37-103)143-81(57)135-25-21-131-17-11-89-53(111)29-97(30-54(112)90-12-18-132-22-26-136-82-58(94-42(2)108)66(120)78(50(38-104)144-82)148-86-74(128)70(124)62(116)46(34-100)140-86)15-9-7-5-6-8-10-16-98(31-55(113)91-13-19-133-23-27-137-83-59(95-43(3)109)67(121)79(51(39-105)145-83)149-87-75(129)71(125)63(117)47(35-101)141-87)32-56(114)92-14-20-134-24-28-138-84-60(96-44(4)110)68(122)80(52(40-106)146-84)150-88-76(130)72(126)64(118)48(36-102)142-88/h45-52,57-88,99-106,115-130H,5-40H2,1-4H3,(H,89,111)(H,90,112)(H,91,113)(H,92,114)(H,93,107)(H,94,108)(H,95,109)(H,96,110)/t45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72?,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85+,86+,87+,88+/m1/s1
• InChIKey: GRXDPEMPPBGOFQ-YJIIOSIISA-N
• XLogP: -20.40
• TPSA: 909.40 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 54
• Rotatable Bonds: 65
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2186.23
LogP ≤ 5	-20.40
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide?

The IUPAC name of N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide (CID 53482534) is N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide.

What is the SMILES notation for N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide?

The canonical SMILES for N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide is CC(=O)N[C@H]1[C@H](OCCOCCNC(=O)CN(CCCCCCCCN(CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)C(O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)CC(=O)NCCOCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O.

What is the InChIKey of N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide?

The InChIKey is GRXDPEMPPBGOFQ-YJIIOSIISA-N. The full InChI is InChI=1S/C88H156N10O52/c1-41(107)93-57-65(119)77(147-85-73(127)69(123)61(115)45(33-99)139-85)49(37-103)143-81(57)135-25-21-131-17-11-89-53(111)29-97(30-54(112)90-12-18-132-22-26-136-82-58(94-42(2)108)66(120)78(50(38-104)144-82)148-86-74(128)70(124)62(116)46(34-100)140-86)15-9-7-5-6-8-10-16-98(31-55(113)91-13-19-133-23-27-137-83-59(95-43(3)109)67(121)79(51(39-105)145-83)149-87-75(129)71(125)63(117)47(35-101)141-87)32-56(114)92-14-20-134-24-28-138-84-60(96-44(4)110)68(122)80(52(40-106)146-84)150-88-76(130)72(126)64(118)48(36-102)142-88/h45-52,57-88,99-106,115-130H,5-40H2,1-4H3,(H,89,111)(H,90,112)(H,91,113)(H,92,114)(H,93,107)(H,94,108)(H,95,109)(H,96,110)/t45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72?,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85+,86+,87+,88+/m1/s1.

What are the key properties of N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide?

N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide has a molecular weight of 2186.23 g/mol, XLogP of -20.40, 65 rotatable bonds, 32 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl]-2-[[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]-[8-[bis[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]octyl]amino]acetamide is sourced from PubChem (CID 53482534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).