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

C8H16O6 — CID 70232316

IUPAC(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCCO[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C8H16O6/c1-2-13-7-6(11)5(10)4(3-9)14-8(7)12/h4-12H,2-3H2,1H3/t4-,5-,6+,7+,8+/m1/s1
InChIKeyRPVCPBFAEULVKL-HEIBUPTGSA-N
MW208.21 g/mol
LogP-2.18
Rot. Bonds3

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

(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 70232316) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID70232316
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCCO[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C8H16O6/c1-2-13-7-6(11)5(10)4(3-9)14-8(7)12/h4-12H,2-3H2,1H3/t4-,5-,6+,7+,8+/m1/s1
InChIKeyRPVCPBFAEULVKL-HEIBUPTGSA-N
XLogP-2.18
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
CID 174113767
(2S,3S,4S,5S,6S)-3-butoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 146216378
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxypropoxy)oxane-2,4,5-triol
CID 146628954
(3R,4R,5R)-3-butoxy-5-(hydroxymethyl)oxolane-2,4-diol
CID 70357171
(2S,3R,4S,5S,6R)-3-[2-(diethylamino)ethoxy]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 100920244
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273
(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,3R,4S,5S,6R)-6-(hydroxymethyl)-3-prop-2-enoxyoxane-2,4,5-triol
CID 67036661
(2R,3R,4S,5R,6R)-3-(2-bromoethoxy)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67861357
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-prop-2-enoxyoxane-2,4,5-triol
CID 66647373

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol (CID 70232316) is (2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol is CCO[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is RPVCPBFAEULVKL-HEIBUPTGSA-N. The full InChI is InChI=1S/C8H16O6/c1-2-13-7-6(11)5(10)4(3-9)14-8(7)12/h4-12H,2-3H2,1H3/t4-,5-,6+,7+,8+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol?
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 208.21 g/mol, XLogP of -2.18, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 70232316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).