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

C8H14O5 — CID 135033372

IUPAC(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC/C=C1/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-2-4-6(10)8(12)7(11)5(3-9)13-4/h2,5-12H,3H2,1H3/b4-2+/t5-,6+,7-,8-/m1/s1
InChIKeyUKZREQMNJZDGAA-TWGKIOIQSA-N
MW190.19 g/mol
LogP-1.64
Rot. Bonds1

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

(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 135033372) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID135033372
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC/C=C1/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-2-4-6(10)8(12)7(11)5(3-9)13-4/h2,5-12H,3H2,1H3/b4-2+/t5-,6+,7-,8-/m1/s1
InChIKeyUKZREQMNJZDGAA-TWGKIOIQSA-N
XLogP-1.64
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol (CID 135033372) is (2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol is C/C=C1/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is UKZREQMNJZDGAA-TWGKIOIQSA-N. The full InChI is InChI=1S/C8H14O5/c1-2-4-6(10)8(12)7(11)5(3-9)13-4/h2,5-12H,3H2,1H3/b4-2+/t5-,6+,7-,8-/m1/s1.
What are the key properties of (2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol?
(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 190.19 g/mol, XLogP of -1.64, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 135033372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).