(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol

C13H18O4 — CID 10977493

IUPAC(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
SMILESCO[C@@H]1C[C@@H](O)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C13H18O4/c1-15-13-7-11(14)12(17-13)9-16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyRVKBINODTNULPD-UPJWGTAASA-N
MW238.28 g/mol
LogP1.33
Rot. Bonds5

About (2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol

(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol (PubChem CID 10977493) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
PubChem CID10977493
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
SMILESCO[C@@H]1C[C@@H](O)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C13H18O4/c1-15-13-7-11(14)12(17-13)9-16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyRVKBINODTNULPD-UPJWGTAASA-N
XLogP1.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 91316153
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol
CID 102065732
[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
CID 68926499
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 22979812
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 14374475
(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10828905
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
(2R,4S,5S,6R)-3-deuterio-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10456375
2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol
CID 142600806

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol (CID 10977493) is (2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol is CO[C@@H]1C[C@@H](O)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol?
The InChIKey is RVKBINODTNULPD-UPJWGTAASA-N. The full InChI is InChI=1S/C13H18O4/c1-15-13-7-11(14)12(17-13)9-16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of (2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol?
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol has a molecular weight of 238.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol is sourced from PubChem (CID 10977493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).