(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol

C22H28O4 — CID 91212823

IUPAC(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
SMILESCC1[C@H](C)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C22H28O4/c1-16-17(2)26-20(15-24-13-18-9-5-3-6-10-18)22(21(16)23)25-14-19-11-7-4-8-12-19/h3-12,16-17,20-23H,13-15H2,1-2H3/t16?,17-,20?,21+,22+/m0/s1
InChIKeyFUENAMVNKJNEAL-CEIDEDIVSA-N
MW356.46 g/mol
LogP3.57
Rot. Bonds7

About (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol

(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol (PubChem CID 91212823) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
PubChem CID91212823
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
SMILESCC1[C@H](C)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C22H28O4/c1-16-17(2)26-20(15-24-13-18-9-5-3-6-10-18)22(21(16)23)25-14-19-11-7-4-8-12-19/h3-12,16-17,20-23H,13-15H2,1-2H3/t16?,17-,20?,21+,22+/m0/s1
InChIKeyFUENAMVNKJNEAL-CEIDEDIVSA-N
XLogP3.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol with MolForge

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Related Compounds

(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 71166590
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 130316791
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220
6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol
CID 137482941
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol?
The IUPAC name of (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol (CID 91212823) is (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol.
What is the SMILES notation for (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol?
The canonical SMILES for (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol is CC1[C@H](C)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol?
The InChIKey is FUENAMVNKJNEAL-CEIDEDIVSA-N. The full InChI is InChI=1S/C22H28O4/c1-16-17(2)26-20(15-24-13-18-9-5-3-6-10-18)22(21(16)23)25-14-19-11-7-4-8-12-19/h3-12,16-17,20-23H,13-15H2,1-2H3/t16?,17-,20?,21+,22+/m0/s1.
What are the key properties of (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol?
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol has a molecular weight of 356.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol is sourced from PubChem (CID 91212823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).