[(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate

C67H114N4O23 — CID 165069352

About [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate

[(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate (PubChem CID 165069352) has the molecular formula C67H114N4O23 and a molecular weight of 1343.65 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate
• PubChem CID: 165069352
• Molecular Formula: C67H114N4O23
• Molecular Weight: 1343.65 g/mol
• Exact Mass: 1342.79
• IUPAC Name: [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate
• SMILES: CCCCCCCNC(=O)c1cc(OCCOCCOCCO[C@@H]2O[C@H](CC)[C@H](C)[C@H](C)[C@H]2NC(C)=O)c(OCCOCCOCCO[C@@H]2O[C@H](CC)[C@H](C)[C@H](OC(C)=O)[C@H]2NC(C)=O)c(OCCOCCOCCO[C@@H]2O[C@H](CC)[C@H](C)[C@H](OC(C)=O)[C@H]2NC(C)=O)c1
• InChI: InChI=1S/C67H114N4O23/c1-14-18-19-20-21-22-68-64(77)52-41-56(84-35-29-78-23-26-81-32-38-87-65-58(69-47(9)72)44(6)43(5)53(15-2)92-65)63(86-37-31-80-25-28-83-34-40-89-67-60(71-49(11)74)62(91-51(13)76)46(8)55(17-4)94-67)57(42-52)85-36-30-79-24-27-82-33-39-88-66-59(70-48(10)73)61(90-50(12)75)45(7)54(16-3)93-66/h41-46,53-55,58-62,65-67H,14-40H2,1-13H3,(H,68,77)(H,69,72)(H,70,73)(H,71,74)/t43-,44+,45+,46+,53-,54-,55-,58-,59-,60-,61+,62+,65-,66-,67-/m1/s1
• InChIKey: LGLZGFXDHWVIJP-MTKSMDRLSA-N
• XLogP: 6.00
• TPSA: 307.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 48
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1343.65
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate?

The IUPAC name of [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate (CID 165069352) is [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate.

What is the SMILES notation for [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate?

The canonical SMILES for [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate is CCCCCCCNC(=O)c1cc(OCCOCCOCCO[C@@H]2O[C@H](CC)[C@H](C)[C@H](C)[C@H]2NC(C)=O)c(OCCOCCOCCO[C@@H]2O[C@H](CC)[C@H](C)[C@H](OC(C)=O)[C@H]2NC(C)=O)c(OCCOCCOCCO[C@@H]2O[C@H](CC)[C@H](C)[C@H](OC(C)=O)[C@H]2NC(C)=O)c1.

What is the InChIKey of [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate?

The InChIKey is LGLZGFXDHWVIJP-MTKSMDRLSA-N. The full InChI is InChI=1S/C67H114N4O23/c1-14-18-19-20-21-22-68-64(77)52-41-56(84-35-29-78-23-26-81-32-38-87-65-58(69-47(9)72)44(6)43(5)53(15-2)92-65)63(86-37-31-80-25-28-83-34-40-89-67-60(71-49(11)74)62(91-51(13)76)46(8)55(17-4)94-67)57(42-52)85-36-30-79-24-27-82-33-39-88-66-59(70-48(10)73)61(90-50(12)75)45(7)54(16-3)93-66/h41-46,53-55,58-62,65-67H,14-40H2,1-13H3,(H,68,77)(H,69,72)(H,70,73)(H,71,74)/t43-,44+,45+,46+,53-,54-,55-,58-,59-,60-,61+,62+,65-,66-,67-/m1/s1.

What are the key properties of [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate?

[(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate has a molecular weight of 1343.65 g/mol, XLogP of 6.00, 48 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S,6R)-3-acetamido-2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S,5S,6R)-3-acetamido-4-acetyloxy-6-ethyl-5-methyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-3-[2-[2-[2-[(2R,3R,4S,5R,6R)-3-acetamido-6-ethyl-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]-5-(heptylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]-6-ethyl-5-methyloxan-4-yl] acetate is sourced from PubChem (CID 165069352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).