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

C8H16O6 — CID 160607316

IUPAC(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCOC1OC(CO)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4?,5-,6-,7?,8?/m0/s1
InChIKeyWYUFTYLVLQZQNH-URZWUNTISA-N
MW208.21 g/mol
LogP-2.18
Rot. Bonds3

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

(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 160607316) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID160607316
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCOC1OC(CO)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4?,5-,6-,7?,8?/m0/s1
InChIKeyWYUFTYLVLQZQNH-URZWUNTISA-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

(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
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517
actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59059867
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
2-[2-[2-[2-[2-[2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167206332
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-propoxyoxane-3,4,5-triol
CID 67412488
(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
CID 167273619
(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol
CID 174963793

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 160607316) is (4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol is CCOC1OC(CO)[C@H](O)[C@H](O)C1O.
What is the InChIKey of (4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is WYUFTYLVLQZQNH-URZWUNTISA-N. The full InChI is InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4?,5-,6-,7?,8?/m0/s1.
What are the key properties of (4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-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 (4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 160607316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).