6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol

C12H25NO5 — CID 123961966

IUPAC6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol
SMILESNCCCCCCOC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C12H25NO5/c13-5-3-1-2-4-6-17-11-7-9(15)12(16)10(8-14)18-11/h9-12,14-16H,1-8,13H2
InChIKeyYVTHDAGDVAWHFC-UHFFFAOYSA-N
MW263.33 g/mol
LogP-0.65
Rot. Bonds8

About 6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol

6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 123961966) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is 6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID123961966
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol
SMILESNCCCCCCOC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C12H25NO5/c13-5-3-1-2-4-6-17-11-7-9(15)12(16)10(8-14)18-11/h9-12,14-16H,1-8,13H2
InChIKeyYVTHDAGDVAWHFC-UHFFFAOYSA-N
XLogP-0.65
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
CID 172627567
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
CID 178052000
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(2R,3R,4S,5S,6R)-2-(12-aminododecoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102598755
(2R,3S,4S,5S,6R)-2-(4-aminobutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66764747
(3R,7R)-7-[(3S,7S)-7-[(3S,6S)-6-[(3S,6S)-6-(4-aminobutoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,6-dihydroxy-2-(hydroxymethyl)oxepan-3-yl]oxy-2-(hydroxymethyl)oxepane-3,4,6-triol
CID 130360354
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338

Frequently Asked Questions

What is the IUPAC name of 6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol (CID 123961966) is 6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol is NCCCCCCOC1CC(O)C(O)C(CO)O1.
What is the InChIKey of 6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is YVTHDAGDVAWHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c13-5-3-1-2-4-6-17-11-7-9(15)12(16)10(8-14)18-11/h9-12,14-16H,1-8,13H2.
What are the key properties of 6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol?
6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 263.33 g/mol, XLogP of -0.65, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 123961966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).