(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol

C9H18O6 — CID 174113767

IUPAC(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
SMILESCCO[C@@H]1C(CO)O[C@H](CO)C(O)C1O
InChIInChI=1S/C9H18O6/c1-2-14-9-6(4-11)15-5(3-10)7(12)8(9)13/h5-13H,2-4H2,1H3/t5-,6?,7?,8?,9-/m1/s1
InChIKeyLBTZLIQWDJOZGG-NHMDFMCYSA-N
MW222.24 g/mol
LogP-2.13
Rot. Bonds4

About (2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol

(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol (PubChem CID 174113767) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
PubChem CID174113767
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
SMILESCCO[C@@H]1C(CO)O[C@H](CO)C(O)C1O
InChIInChI=1S/C9H18O6/c1-2-14-9-6(4-11)15-5(3-10)7(12)8(9)13/h5-13H,2-4H2,1H3/t5-,6?,7?,8?,9-/m1/s1
InChIKeyLBTZLIQWDJOZGG-NHMDFMCYSA-N
XLogP-2.13
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316
5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
CID 134379068
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(3R,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167273002
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67410978
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol (CID 174113767) is (2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol is CCO[C@@H]1C(CO)O[C@H](CO)C(O)C1O.
What is the InChIKey of (2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol?
The InChIKey is LBTZLIQWDJOZGG-NHMDFMCYSA-N. The full InChI is InChI=1S/C9H18O6/c1-2-14-9-6(4-11)15-5(3-10)7(12)8(9)13/h5-13H,2-4H2,1H3/t5-,6?,7?,8?,9-/m1/s1.
What are the key properties of (2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol?
(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol has a molecular weight of 222.24 g/mol, XLogP of -2.13, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 174113767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).