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

C11H14O4 — CID 5271317

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H14O4/c12-6-8-9(13)10(14)11(15-8)7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9-,10-,11+/m1/s1
InChIKeyVXLIVGBVFGMEQD-DBIOUOCHSA-N
MW210.23 g/mol
LogP-0.16
Rot. Bonds2

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

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol (PubChem CID 5271317) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol
PubChem CID5271317
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H14O4/c12-6-8-9(13)10(14)11(15-8)7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9-,10-,11+/m1/s1
InChIKeyVXLIVGBVFGMEQD-DBIOUOCHSA-N
XLogP-0.16
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol (CID 5271317) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol is OC[C@H]1O[C@@H](c2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol?
The InChIKey is VXLIVGBVFGMEQD-DBIOUOCHSA-N. The full InChI is InChI=1S/C11H14O4/c12-6-8-9(13)10(14)11(15-8)7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9-,10-,11+/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol has a molecular weight of 210.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-phenyloxolane-3,4-diol is sourced from PubChem (CID 5271317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).