(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol

C6H12O4 — CID 131000812

IUPAC(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol
SMILESOCC[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4/c7-2-1-5-6(9)4(8)3-10-5/h4-9H,1-3H2/t4-,5+,6-/m0/s1
InChIKeyNWWJNCKNQPQABL-JKUQZMGJSA-N
MW148.16 g/mol
LogP-1.51
Rot. Bonds2

About (2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol

(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol (PubChem CID 131000812) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol
PubChem CID131000812
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol
SMILESOCC[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4/c7-2-1-5-6(9)4(8)3-10-5/h4-9H,1-3H2/t4-,5+,6-/m0/s1
InChIKeyNWWJNCKNQPQABL-JKUQZMGJSA-N
XLogP-1.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
CID 166874001
2-(2-hydroxyethyl)oxetan-3-ol
CID 118010510
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol
CID 126601824
2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 20732647
(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol
CID 166946041
(2S,3S,4R)-2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 157122722
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
CID 173247961
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
(2S,3R,4R,5S)-2-(chloromethyl)oxane-3,4,5-triol
CID 18632305

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol (CID 131000812) is (2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol is OCC[C@H]1OC[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol?
The InChIKey is NWWJNCKNQPQABL-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H12O4/c7-2-1-5-6(9)4(8)3-10-5/h4-9H,1-3H2/t4-,5+,6-/m0/s1.
What are the key properties of (2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol?
(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol has a molecular weight of 148.16 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol is sourced from PubChem (CID 131000812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).