(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol

C26H28O5 — CID 90477385

IUPAC(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
SMILESO[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H28O5/c27-24-25(29-17-21-12-6-2-7-13-21)23(19-28-16-20-10-4-1-5-11-20)31-26(24)30-18-22-14-8-3-9-15-22/h1-15,23-27H,16-19H2/t23-,24-,25-,26-/m1/s1
InChIKeyWNQZNYYPMPLCNA-VEYUFSJPSA-N
MW420.50 g/mol
LogP4.09
Rot. Bonds10

About (2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol

(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol (PubChem CID 90477385) has the molecular formula C26H28O5 and a molecular weight of 420.50 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
PubChem CID90477385
Molecular FormulaC26H28O5
Molecular Weight420.50 g/mol
Exact Mass420.19
IUPAC Name(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
SMILESO[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H28O5/c27-24-25(29-17-21-12-6-2-7-13-21)23(19-28-16-20-10-4-1-5-11-20)31-26(24)30-18-22-14-8-3-9-15-22/h1-15,23-27H,16-19H2/t23-,24-,25-,26-/m1/s1
InChIKeyWNQZNYYPMPLCNA-VEYUFSJPSA-N
XLogP4.09
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2R,3S,4R,5S,6R)-2-hydroperoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 102260445
(2R,3S,4S,5R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
CID 174503596
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-ol
CID 134865887
(5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 134865888
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hypofluorite
CID 101133508

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol (CID 90477385) is (2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol is O[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol?
The InChIKey is WNQZNYYPMPLCNA-VEYUFSJPSA-N. The full InChI is InChI=1S/C26H28O5/c27-24-25(29-17-21-12-6-2-7-13-21)23(19-28-16-20-10-4-1-5-11-20)31-26(24)30-18-22-14-8-3-9-15-22/h1-15,23-27H,16-19H2/t23-,24-,25-,26-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol?
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol has a molecular weight of 420.50 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol is sourced from PubChem (CID 90477385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).