(2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 174159889

IUPAC(2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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
SMILESOC[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
InChIInChI=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-/m0/s1
InChIKeyHDONEENXJMJOSO-ALERXTORSA-N
MW747.88 g/mol
LogP-5.77
Rot. Bonds32

About (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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

(2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 174159889) has the molecular formula C32H65N3O16 and a molecular weight of 747.88 g/mol. Its IUPAC name is (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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(2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 CID174159889
Molecular FormulaC32H65N3O16
Molecular Weight747.88 g/mol
Exact Mass747.44
IUPAC Name(2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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
SMILESOC[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
InChIInChI=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-/m0/s1
InChIKeyHDONEENXJMJOSO-ALERXTORSA-N
XLogP-5.77
TPSA254.19 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500747.88
LogP ≤ 5-5.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 174159889) is (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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-ALERXTORSA-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-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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?
(2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 (2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,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 174159889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).