2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate

C47H90N4O23 — CID 118297835

About 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate (PubChem CID 118297835) has the molecular formula C47H90N4O23 and a molecular weight of 1079.24 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate
• PubChem CID: 118297835
• Molecular Formula: C47H90N4O23
• Molecular Weight: 1079.24 g/mol
• Exact Mass: 1078.60
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate
• SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCNC(C)CNC1[C@H](O[C@@H]2C(CO)O[C@@H](C)C(N)[C@H]2O)OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](C)[C@H](O)C2NC(C)=O)[C@@H]1O
• InChI: InChI=1S/C47H90N4O23/c1-30(49-7-6-37(56)69-25-24-68-23-22-67-21-20-66-19-18-65-17-16-64-15-14-63-13-12-62-11-10-61-9-8-60-5)26-50-39-43(59)45(74-47-40(51-33(4)55)41(57)31(2)34(27-52)71-47)36(29-54)72-46(39)73-44-35(28-53)70-32(3)38(48)42(44)58/h30-32,34-36,38-47,49-50,52-54,57-59H,6-29,48H2,1-5H3,(H,51,55)/t30?,31-,32-,34?,35?,36?,38?,39?,40?,41-,42+,43+,44+,45+,46-,47-/m0/s1
• InChIKey: SHHLRIIRZZIFRB-IEBPATJYSA-N
• XLogP: -4.83
• TPSA: 356.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1079.24
LogP ≤ 5	-4.83
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate (CID 118297835) is 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate is COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCNC(C)CNC1[C@H](O[C@@H]2C(CO)O[C@@H](C)C(N)[C@H]2O)OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](C)[C@H](O)C2NC(C)=O)[C@@H]1O.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate?

The InChIKey is SHHLRIIRZZIFRB-IEBPATJYSA-N. The full InChI is InChI=1S/C47H90N4O23/c1-30(49-7-6-37(56)69-25-24-68-23-22-67-21-20-66-19-18-65-17-16-64-15-14-63-13-12-62-11-10-61-9-8-60-5)26-50-39-43(59)45(74-47-40(51-33(4)55)41(57)31(2)34(27-52)71-47)36(29-54)72-46(39)73-44-35(28-53)70-32(3)38(48)42(44)58/h30-32,34-36,38-47,49-50,52-54,57-59H,6-29,48H2,1-5H3,(H,51,55)/t30?,31-,32-,34?,35?,36?,38?,39?,40?,41-,42+,43+,44+,45+,46-,47-/m0/s1.

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate?

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate has a molecular weight of 1079.24 g/mol, XLogP of -4.83, 42 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[1-[[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-2-[(3S,4R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-ylamino]propanoate is sourced from PubChem (CID 118297835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).