(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol

C8H16O4 — CID 54321691

IUPAC(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol
SMILESCCO[C@H]1CC[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H16O4/c1-2-11-8-4-3-6(10)7(5-9)12-8/h6-10H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeySSCPPVAZOFLAGP-XLPZGREQSA-N
MW176.21 g/mol
LogP-0.12
Rot. Bonds3

About (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol

(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol (PubChem CID 54321691) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol
PubChem CID54321691
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol
SMILESCCO[C@H]1CC[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H16O4/c1-2-11-8-4-3-6(10)7(5-9)12-8/h6-10H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeySSCPPVAZOFLAGP-XLPZGREQSA-N
XLogP-0.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol
CID 18974249
[(2R,3S,5R)-3-chloro-5-ethoxyoxolan-2-yl]methanol
CID 130870867
[(2R,3S)-5-ethoxy-3-fluorooxolan-2-yl]methanol
CID 11030161
2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol
CID 76682354
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
CID 90165528
(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 177228824
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316
(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
CID 174113767
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite
CID 69004119
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol?
The IUPAC name of (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol (CID 54321691) is (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol is CCO[C@H]1CC[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol?
The InChIKey is SSCPPVAZOFLAGP-XLPZGREQSA-N. The full InChI is InChI=1S/C8H16O4/c1-2-11-8-4-3-6(10)7(5-9)12-8/h6-10H,2-5H2,1H3/t6-,7+,8+/m0/s1.
What are the key properties of (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol?
(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol has a molecular weight of 176.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 54321691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).