[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium

C37H79N2O23+ — CID 177177426

About [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium

[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium (PubChem CID 177177426) has the molecular formula C37H79N2O23+ and a molecular weight of 920.03 g/mol. Its IUPAC name is [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium.

Molecular Properties

• Compound Name: [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium
• PubChem CID: 177177426
• Molecular Formula: C37H79N2O23+
• Molecular Weight: 920.03 g/mol
• Exact Mass: 919.51
• IUPAC Name: [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium
• SMILES: CN(CCOCCOCCOCCOCCOCCOCCOCCOCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[OH2+])C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C37H78N2O23/c1-38(20-26(43)32(49)35(52)29(46)23-40)2-4-55-6-8-57-10-12-59-14-16-61-18-19-62-17-15-60-13-11-58-9-7-56-5-3-39(21-27(44)33(50)36(53)30(47)24-41)22-28(45)34(51)37(54)31(48)25-42/h26-37,40-54H,2-25H2,1H3/p+1/t26-,27-,28-,29+,30+,31+,32+,33+,34+,35+,36+,37+/m0/s1
• InChIKey: FWNCGPKTGDSLQC-OUECFQJSSA-O
• XLogP: -9.61
• TPSA: 386.44 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	920.03
LogP ≤ 5	-9.61
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium?

The IUPAC name of [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium (CID 177177426) is [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium.

What is the SMILES notation for [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium?

The canonical SMILES for [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium is CN(CCOCCOCCOCCOCCOCCOCCOCCOCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[OH2+])C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.

What is the InChIKey of [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium?

The InChIKey is FWNCGPKTGDSLQC-OUECFQJSSA-O. The full InChI is InChI=1S/C37H78N2O23/c1-38(20-26(43)32(49)35(52)29(46)23-40)2-4-55-6-8-57-10-12-59-14-16-61-18-19-62-17-15-60-13-11-58-9-7-56-5-3-39(21-27(44)33(50)36(53)30(47)24-41)22-28(45)34(51)37(54)31(48)25-42/h26-37,40-54H,2-25H2,1H3/p+1/t26-,27-,28-,29+,30+,31+,32+,33+,34+,35+,36+,37+/m0/s1.

What are the key properties of [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium?

[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium has a molecular weight of 920.03 g/mol, XLogP of -9.61, 45 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium is sourced from PubChem (CID 177177426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).