2-(2-aminoethoxy)oxolane-3,4-diol;ethanol

C8H19NO5 — CID 142369559

IUPAC2-(2-aminoethoxy)oxolane-3,4-diol;ethanol
SMILESCCO.NCCOC1OCC(O)C1O
InChIInChI=1S/C6H13NO4.C2H6O/c7-1-2-10-6-5(9)4(8)3-11-6;1-2-3/h4-6,8-9H,1-3,7H2;3H,2H2,1H3
InChIKeyKWMIGTKRMCGVRV-UHFFFAOYSA-N
MW209.24 g/mol
LogP-1.96
Rot. Bonds3

About 2-(2-aminoethoxy)oxolane-3,4-diol;ethanol

2-(2-aminoethoxy)oxolane-3,4-diol;ethanol (PubChem CID 142369559) has the molecular formula C8H19NO5 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(2-aminoethoxy)oxolane-3,4-diol;ethanol.

Molecular Properties

Compound Name2-(2-aminoethoxy)oxolane-3,4-diol;ethanol
PubChem CID142369559
Molecular FormulaC8H19NO5
Molecular Weight209.24 g/mol
Exact Mass209.13
IUPAC Name2-(2-aminoethoxy)oxolane-3,4-diol;ethanol
SMILESCCO.NCCOC1OCC(O)C1O
InChIInChI=1S/C6H13NO4.C2H6O/c7-1-2-10-6-5(9)4(8)3-11-6;1-2-3/h4-6,8-9H,1-3,7H2;3H,2H2,1H3
InChIKeyKWMIGTKRMCGVRV-UHFFFAOYSA-N
XLogP-1.96
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethoxy)oxolane-3,4-diol
CID 142369560
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
2-(2-aminoethoxy)-5-fluorooxane-3,4-diol
CID 145030712
2-ethoxyoxane-3,4,5-triol
CID 22495206
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
(2S,3R,4S,5R)-2-heptoxyoxane-3,4,5-triol
CID 70514431
methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 159923464
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2R,3R,4S,5R)-2-(3,7,11-trimethylhexadecoxy)oxane-3,4,5-triol
CID 102453424
(2R,3R,4S,5S,6R)-2-ethoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 90479210

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)oxolane-3,4-diol;ethanol?
The IUPAC name of 2-(2-aminoethoxy)oxolane-3,4-diol;ethanol (CID 142369559) is 2-(2-aminoethoxy)oxolane-3,4-diol;ethanol.
What is the SMILES notation for 2-(2-aminoethoxy)oxolane-3,4-diol;ethanol?
The canonical SMILES for 2-(2-aminoethoxy)oxolane-3,4-diol;ethanol is CCO.NCCOC1OCC(O)C1O.
What is the InChIKey of 2-(2-aminoethoxy)oxolane-3,4-diol;ethanol?
The InChIKey is KWMIGTKRMCGVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4.C2H6O/c7-1-2-10-6-5(9)4(8)3-11-6;1-2-3/h4-6,8-9H,1-3,7H2;3H,2H2,1H3.
What are the key properties of 2-(2-aminoethoxy)oxolane-3,4-diol;ethanol?
2-(2-aminoethoxy)oxolane-3,4-diol;ethanol has a molecular weight of 209.24 g/mol, XLogP of -1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)oxolane-3,4-diol;ethanol is sourced from PubChem (CID 142369559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).