(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol

C13H18O4 — CID 174151377

IUPAC(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol
SMILESOC[C@H]1O[C@H](O)C(O)[C@H]1CCc1ccccc1
InChIInChI=1S/C13H18O4/c14-8-11-10(12(15)13(16)17-11)7-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12?,13-/m0/s1
InChIKeyFMYGZCDRTDPJNT-HNGCFSAESA-N
MW238.28 g/mol
LogP0.31
Rot. Bonds4

About (2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol

(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol (PubChem CID 174151377) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol.

Molecular Properties

Compound Name(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol
PubChem CID174151377
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol
SMILESOC[C@H]1O[C@H](O)C(O)[C@H]1CCc1ccccc1
InChIInChI=1S/C13H18O4/c14-8-11-10(12(15)13(16)17-11)7-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12?,13-/m0/s1
InChIKeyFMYGZCDRTDPJNT-HNGCFSAESA-N
XLogP0.31
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol
CID 71169892
(3R,4R,5R,6R)-6-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]oxane-2,4,5-triol
CID 25115878
(3R,4R,5S,6R)-6-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]oxane-2,4,5-triol
CID 25115877
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
(3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol
CID 15235478
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11565251
2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol
CID 90704833

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol?
The IUPAC name of (2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol (CID 174151377) is (2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol.
What is the SMILES notation for (2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol?
The canonical SMILES for (2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol is OC[C@H]1O[C@H](O)C(O)[C@H]1CCc1ccccc1.
What is the InChIKey of (2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol?
The InChIKey is FMYGZCDRTDPJNT-HNGCFSAESA-N. The full InChI is InChI=1S/C13H18O4/c14-8-11-10(12(15)13(16)17-11)7-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12?,13-/m0/s1.
What are the key properties of (2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol?
(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol has a molecular weight of 238.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol is sourced from PubChem (CID 174151377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).