(2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran

C20H22O4 — CID 11359312

IUPAC(2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran
SMILESCO[C@H]1OC=C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C20H22O4/c1-21-20-19(24-15-17-10-6-3-7-11-17)18(12-13-22-20)23-14-16-8-4-2-5-9-16/h2-13,18-20H,14-15H2,1H3/t18-,19+,20-/m0/s1
InChIKeyWTWYQYITSIMYOK-ZCNNSNEGSA-N
MW326.39 g/mol
LogP3.67
Rot. Bonds7

About (2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran

(2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran (PubChem CID 11359312) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran
PubChem CID11359312
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran
SMILESCO[C@H]1OC=C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C20H22O4/c1-21-20-19(24-15-17-10-6-3-7-11-17)18(12-13-22-20)23-14-16-8-4-2-5-9-16/h2-13,18-20H,14-15H2,1H3/t18-,19+,20-/m0/s1
InChIKeyWTWYQYITSIMYOK-ZCNNSNEGSA-N
XLogP3.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran (CID 11359312) is (2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran is CO[C@H]1OC=C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran?
The InChIKey is WTWYQYITSIMYOK-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H22O4/c1-21-20-19(24-15-17-10-6-3-7-11-17)18(12-13-22-20)23-14-16-8-4-2-5-9-16/h2-13,18-20H,14-15H2,1H3/t18-,19+,20-/m0/s1.
What are the key properties of (2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran?
(2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran has a molecular weight of 326.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11359312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).