(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C19H37NO10 — CID 101248104

About (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 101248104) has the molecular formula C19H37NO10 and a molecular weight of 439.50 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 101248104
• Molecular Formula: C19H37NO10
• Molecular Weight: 439.50 g/mol
• Exact Mass: 439.24
• IUPAC Name: (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: NCCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C19H37NO10/c20-7-5-3-1-2-4-6-8-27-18-16(25)14(23)12(30-18)10-28-19-17(26)15(24)13(22)11(9-21)29-19/h11-19,21-26H,1-10,20H2/t11-,12-,13-,14-,15+,16+,17+,18-,19+/m1/s1
• InChIKey: IQBOZLFGSNMIKN-ZJJFCEAFSA-N
• XLogP: -2.43
• TPSA: 184.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	439.50
LogP ≤ 5	-2.43
H-Bond Donors ≤ 5	7
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,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 101248104) is (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is NCCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is IQBOZLFGSNMIKN-ZJJFCEAFSA-N. The full InChI is InChI=1S/C19H37NO10/c20-7-5-3-1-2-4-6-8-27-18-16(25)14(23)12(30-18)10-28-19-17(26)15(24)13(22)11(9-21)29-19/h11-19,21-26H,1-10,20H2/t11-,12-,13-,14-,15+,16+,17+,18-,19+/m1/s1.

What are the key properties of (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 439.50 g/mol, XLogP of -2.43, 13 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 101248104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).