(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide

C40H75N5O25 — CID 175634239

About (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide

(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide (PubChem CID 175634239) has the molecular formula C40H75N5O25 and a molecular weight of 1026.05 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide.

Molecular Properties

• Compound Name: (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide
• PubChem CID: 175634239
• Molecular Formula: C40H75N5O25
• Molecular Weight: 1026.05 g/mol
• Exact Mass: 1025.48
• IUPAC Name: (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide
• SMILES: CC(=O)CCC(=O)NCCOCCOCCNC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCOCCOCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C40H75N5O25/c1-23(47)2-3-27(51)41-5-9-66-13-14-67-10-6-42-38(62)36(60)33(57)34(58)37(61)39(63)43-7-11-68-15-17-70-19-18-69-16-12-65-8-4-28(52)44-20-24(48)29(53)30(54)25(49)21-45-40(64)35(59)32(56)31(55)26(50)22-46/h24-26,29-37,46,48-50,53-61H,2-22H2,1H3,(H,41,51)(H,42,62)(H,43,63)(H,44,52)(H,45,64)/t24-,25+,26+,29+,30+,31+,32-,33-,34-,35+,36-,37+/m0/s1
• InChIKey: OLFZXIQEVLCSEN-OTEDVSACSA-N
• XLogP: -11.25
• TPSA: 480.94 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 25
• Rotatable Bonds: 44
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1026.05
LogP ≤ 5	-11.25
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide?

The IUPAC name of (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide (CID 175634239) is (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide.

What is the SMILES notation for (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide?

The canonical SMILES for (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide is CC(=O)CCC(=O)NCCOCCOCCNC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCOCCOCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.

What is the InChIKey of (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide?

The InChIKey is OLFZXIQEVLCSEN-OTEDVSACSA-N. The full InChI is InChI=1S/C40H75N5O25/c1-23(47)2-3-27(51)41-5-9-66-13-14-67-10-6-42-38(62)36(60)33(57)34(58)37(61)39(63)43-7-11-68-15-17-70-19-18-69-16-12-65-8-4-28(52)44-20-24(48)29(53)30(54)25(49)21-45-40(64)35(59)32(56)31(55)26(50)22-46/h24-26,29-37,46,48-50,53-61H,2-22H2,1H3,(H,41,51)(H,42,62)(H,43,63)(H,44,52)(H,45,64)/t24-,25+,26+,29+,30+,31+,32-,33-,34-,35+,36-,37+/m0/s1.

What are the key properties of (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide?

(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide has a molecular weight of 1026.05 g/mol, XLogP of -11.25, 44 rotatable bonds, 18 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide is sourced from PubChem (CID 175634239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).