(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol

C32H65N3O16 — CID 169082941

About (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol (PubChem CID 169082941) has the molecular formula C32H65N3O16 and a molecular weight of 747.88 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol
• PubChem CID: 169082941
• Molecular Formula: C32H65N3O16
• Molecular Weight: 747.88 g/mol
• Exact Mass: 747.44
• IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol
• SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCOCCOCCOCCOCCNCCOCCOCCOCCOCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
• InChI: InChI=1S/C32H65N3O16/c36-23-25-29(40)31(42)27(38)21-34(25)3-7-46-11-15-50-19-17-48-13-9-44-5-1-33-2-6-45-10-14-49-18-20-51-16-12-47-8-4-35-22-28(39)32(43)30(41)26(35)24-37/h25-33,36-43H,1-24H2/t25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
• InChIKey: HDONEENXJMJOSO-LYKROKSUSA-N
• XLogP: -5.77
• TPSA: 254.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 32
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	747.88
LogP ≤ 5	-5.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol?

The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol (CID 169082941) is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol.

What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol?

The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol is OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCOCCOCCOCCOCCNCCOCCOCCOCCOCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.

What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol?

The InChIKey is HDONEENXJMJOSO-LYKROKSUSA-N. The full InChI is InChI=1S/C32H65N3O16/c36-23-25-29(40)31(42)27(38)21-34(25)3-7-46-11-15-50-19-17-48-13-9-44-5-1-33-2-6-45-10-14-49-18-20-51-16-12-47-8-4-35-22-28(39)32(43)30(41)26(35)24-37/h25-33,36-43H,1-24H2/t25-,26-,27+,28+,29-,30-,31-,32-/m1/s1.

What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol?

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol has a molecular weight of 747.88 g/mol, XLogP of -5.77, 32 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol is sourced from PubChem (CID 169082941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).