(3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol

C6H12O5 — CID 11829769

IUPAC(3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol
SMILESOCC[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c7-2-1-3-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5-,6?/m1/s1
InChIKeyWRYOEBBYARWGSI-JDJSBBGDSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds2

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

(3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol (PubChem CID 11829769) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol
PubChem CID11829769
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol
SMILESOCC[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c7-2-1-3-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5-,6?/m1/s1
InChIKeyWRYOEBBYARWGSI-JDJSBBGDSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5S,6R)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 90256488
(3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 101100889
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 85179577
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol?
The IUPAC name of (3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol (CID 11829769) is (3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol?
The canonical SMILES for (3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol is OCC[C@H]1OC(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol?
The InChIKey is WRYOEBBYARWGSI-JDJSBBGDSA-N. The full InChI is InChI=1S/C6H12O5/c7-2-1-3-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5-,6?/m1/s1.
What are the key properties of (3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol?
(3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 11829769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).