(2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane

C34H33ClO4 — CID 162624644

IUPAC(2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
SMILESClc1ccc(/C=C/[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C34H33ClO4/c35-30-19-16-26(17-20-30)18-21-31-33(37-23-28-12-6-2-7-13-28)34(38-24-29-14-8-3-9-15-29)32(39-31)25-36-22-27-10-4-1-5-11-27/h1-21,31-34H,22-25H2/b21-18+/t31-,32+,33+,34-/m0/s1
InChIKeyUHWINJWNUSUGAC-JZZITWMNSA-N
MW541.09 g/mol
LogP7.51
Rot. Bonds12

About (2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane

(2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane (PubChem CID 162624644) has the molecular formula C34H33ClO4 and a molecular weight of 541.09 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
PubChem CID162624644
Molecular FormulaC34H33ClO4
Molecular Weight541.09 g/mol
Exact Mass540.21
IUPAC Name(2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
SMILESClc1ccc(/C=C/[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C34H33ClO4/c35-30-19-16-26(17-20-30)18-21-31-33(37-23-28-12-6-2-7-13-28)34(38-24-29-14-8-3-9-15-29)32(39-31)25-36-22-27-10-4-1-5-11-27/h1-21,31-34H,22-25H2/b21-18+/t31-,32+,33+,34-/m0/s1
InChIKeyUHWINJWNUSUGAC-JZZITWMNSA-N
XLogP7.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.09
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 14039722
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 11743535
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propa-1,2-dienyloxane
CID 102262531
(1S,2R,6R,8R,9S)-8-[(Z)-2-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 10675836
(E)-N-benzyl-3-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]prop-2-en-1-amine
CID 102091536
(2R,5R)-2-chloro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 154723148
4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole
CID 25270681
N-benzyl-1-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methanimine oxide
CID 23247050
(2R,3R,4R,5S,6R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 11091791
N-benzyl-1-[(3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanimine oxide
CID 2753975
(2R,3R,4R,5R,6R)-6-[(4-chlorophenyl)methoxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 22956578

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The IUPAC name of (2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane (CID 162624644) is (2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane is Clc1ccc(/C=C/[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The InChIKey is UHWINJWNUSUGAC-JZZITWMNSA-N. The full InChI is InChI=1S/C34H33ClO4/c35-30-19-16-26(17-20-30)18-21-31-33(37-23-28-12-6-2-7-13-28)34(38-24-29-14-8-3-9-15-29)32(39-31)25-36-22-27-10-4-1-5-11-27/h1-21,31-34H,22-25H2/b21-18+/t31-,32+,33+,34-/m0/s1.
What are the key properties of (2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
(2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane has a molecular weight of 541.09 g/mol, XLogP of 7.51, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 162624644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).