(2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C18H35NO10 — CID 54763862

About (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 54763862) has the molecular formula C18H35NO10 and a molecular weight of 425.48 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 54763862
• Molecular Formula: C18H35NO10
• Molecular Weight: 425.48 g/mol
• Exact Mass: 425.23
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1OCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C18H35NO10/c20-8-10-17(13(23)11(22)7-19-10)27-5-3-1-2-4-6-28-18-16(26)15(25)14(24)12(9-21)29-18/h10-26H,1-9H2/t10-,11+,12-,13-,14-,15+,16-,17-,18+/m1/s1
• InChIKey: BAIOTKFFIUWPJK-BXZNXTOZSA-N
• XLogP: -3.57
• TPSA: 181.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	425.48
LogP ≤ 5	-3.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 54763862) is (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1OCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is BAIOTKFFIUWPJK-BXZNXTOZSA-N. The full InChI is InChI=1S/C18H35NO10/c20-8-10-17(13(23)11(22)7-19-10)27-5-3-1-2-4-6-28-18-16(26)15(25)14(24)12(9-21)29-18/h10-26H,1-9H2/t10-,11+,12-,13-,14-,15+,16-,17-,18+/m1/s1.

What are the key properties of (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 425.48 g/mol, XLogP of -3.57, 11 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6R)-2-[6-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 54763862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).