(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol

C13H18O4 — CID 54189960

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol
SMILESOC[C@H]1OCC[C@@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C13H18O4/c14-8-12-13(11(15)6-7-16-12)17-9-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2/t11-,12-,13-/m1/s1
InChIKeyPHUVXDVROBOFTH-JHJVBQTASA-N
MW238.28 g/mol
LogP0.71
Rot. Bonds4

About (2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol

(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol (PubChem CID 54189960) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol
PubChem CID54189960
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol
SMILESOC[C@H]1OCC[C@@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C13H18O4/c14-8-12-13(11(15)6-7-16-12)17-9-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2/t11-,12-,13-/m1/s1
InChIKeyPHUVXDVROBOFTH-JHJVBQTASA-N
XLogP0.71
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 163725774
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2S,3S,4S,5S,6R)-6-[(2R,3R,4R,5R,6S)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-ol
CID 99694818
(3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol
CID 15235478
2-phenylmethoxyoxetane
CID 23030739
(2S,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 10800923
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
[(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 102364580
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol (CID 54189960) is (2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol is OC[C@H]1OCC[C@@H](O)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol?
The InChIKey is PHUVXDVROBOFTH-JHJVBQTASA-N. The full InChI is InChI=1S/C13H18O4/c14-8-12-13(11(15)6-7-16-12)17-9-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2/t11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol?
(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol has a molecular weight of 238.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol is sourced from PubChem (CID 54189960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).