5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol

C8H17NO4 — CID 20760770

IUPAC5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol
SMILESCCC1OC(CO)C(O)C(O)C1N
InChIInChI=1S/C8H17NO4/c1-2-4-6(9)8(12)7(11)5(3-10)13-4/h4-8,10-12H,2-3,9H2,1H3
InChIKeyGGYYIBRZQOEIPC-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.79
Rot. Bonds2

About 5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol

5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 20760770) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID20760770
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol
SMILESCCC1OC(CO)C(O)C(O)C1N
InChIInChI=1S/C8H17NO4/c1-2-4-6(9)8(12)7(11)5(3-10)13-4/h4-8,10-12H,2-3,9H2,1H3
InChIKeyGGYYIBRZQOEIPC-UHFFFAOYSA-N
XLogP-1.79
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol
CID 129088072
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(2R,3S,4R,5S,6R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131178866
(2R,4R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89053522
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671
(4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 58771482
3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol
CID 58884401
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 122537280
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol (CID 20760770) is 5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol is CCC1OC(CO)C(O)C(O)C1N.
What is the InChIKey of 5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is GGYYIBRZQOEIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-2-4-6(9)8(12)7(11)5(3-10)13-4/h4-8,10-12H,2-3,9H2,1H3.
What are the key properties of 5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol?
5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 191.23 g/mol, XLogP of -1.79, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 20760770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).