(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane

C26H28O4 — CID 122363520

IUPAC(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
SMILESc1ccc(COC[C@H]2OC[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H28O4/c1-4-10-21(11-5-1)16-27-19-24-26(30-18-23-14-8-3-9-15-23)25(20-29-24)28-17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2/t24-,25+,26+/m1/s1
InChIKeyVDBGWYUQYQZWMF-ZNZIZOMTSA-N
MW404.51 g/mol
LogP4.77
Rot. Bonds10

About (2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane

(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane (PubChem CID 122363520) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
PubChem CID122363520
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
SMILESc1ccc(COC[C@H]2OC[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H28O4/c1-4-10-21(11-5-1)16-27-19-24-26(30-18-23-14-8-3-9-15-23)25(20-29-24)28-17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2/t24-,25+,26+/m1/s1
InChIKeyVDBGWYUQYQZWMF-ZNZIZOMTSA-N
XLogP4.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3R,4R)-5-(2-phenylethynyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 170424383
[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]carbamic acid
CID 166681867
[(3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]carbamic acid
CID 166681876
(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845
(2R,3S,4R)-6-methylidene-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 53391581
N-[(3S,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 163997809
(4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-3-carbohydrazide
CID 156818505

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane?
The IUPAC name of (2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane (CID 122363520) is (2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane is c1ccc(COC[C@H]2OC[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane?
The InChIKey is VDBGWYUQYQZWMF-ZNZIZOMTSA-N. The full InChI is InChI=1S/C26H28O4/c1-4-10-21(11-5-1)16-27-19-24-26(30-18-23-14-8-3-9-15-23)25(20-29-24)28-17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2/t24-,25+,26+/m1/s1.
What are the key properties of (2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane?
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane has a molecular weight of 404.51 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 122363520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).