(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol

C7H14O4 — CID 134180059

IUPAC(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
SMILESCC[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O4/c1-2-5-7(10)6(9)4(8)3-11-5/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m0/s1
InChIKeyPUZSHYWAWJRVFE-AXMZGBSTSA-N
MW162.18 g/mol
LogP-1.12
Rot. Bonds1

About (2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol

(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol (PubChem CID 134180059) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
PubChem CID134180059
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
SMILESCC[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O4/c1-2-5-7(10)6(9)4(8)3-11-5/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m0/s1
InChIKeyPUZSHYWAWJRVFE-AXMZGBSTSA-N
XLogP-1.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol (CID 134180059) is (2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol is CC[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol?
The InChIKey is PUZSHYWAWJRVFE-AXMZGBSTSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-5-7(10)6(9)4(8)3-11-5/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol?
(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol has a molecular weight of 162.18 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol is sourced from PubChem (CID 134180059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).