4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole

C50H46N2O4 — CID 25270681

IUPAC4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole
SMILESC(=C/[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C50H46N2O4/c1-7-19-39(20-8-1)34-53-37-47-49(55-36-41-23-11-3-12-24-41)48(54-35-40-21-9-2-10-22-40)46(56-47)32-31-45-33-52(38-51-45)50(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-33,38,46-49H,34-37H2/b32-31+/t46-,47+,48-,49+/m0/s1
InChIKeyVAKNHERYXIFHKW-GLBDKELDSA-N
MW738.93 g/mol
LogP9.89
Rot. Bonds16

About 4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole

4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole (PubChem CID 25270681) has the molecular formula C50H46N2O4 and a molecular weight of 738.93 g/mol. Its IUPAC name is 4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole.

Molecular Properties

Compound Name4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole
PubChem CID25270681
Molecular FormulaC50H46N2O4
Molecular Weight738.93 g/mol
Exact Mass738.35
IUPAC Name4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole
SMILESC(=C/[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C50H46N2O4/c1-7-19-39(20-8-1)34-53-37-47-49(55-36-41-23-11-3-12-24-41)48(54-35-40-21-9-2-10-22-40)46(56-47)32-31-45-33-52(38-51-45)50(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-33,38,46-49H,34-37H2/b32-31+/t46-,47+,48-,49+/m0/s1
InChIKeyVAKNHERYXIFHKW-GLBDKELDSA-N
XLogP9.89
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4S,5R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 162624644
(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
(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,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propa-1,2-dienyloxane
CID 102262531
(2R,3R,4R,5S,6R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 11091791
(2R,3R,4S,5R,6Z)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methylidene]oxane
CID 11115780
N-benzyl-1-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methanimine oxide
CID 23247050
N-benzyl-1-[(3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanimine oxide
CID 2753975
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole?
The IUPAC name of 4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole (CID 25270681) is 4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole.
What is the SMILES notation for 4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole?
The canonical SMILES for 4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole is C(=C/[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole?
The InChIKey is VAKNHERYXIFHKW-GLBDKELDSA-N. The full InChI is InChI=1S/C50H46N2O4/c1-7-19-39(20-8-1)34-53-37-47-49(55-36-41-23-11-3-12-24-41)48(54-35-40-21-9-2-10-22-40)46(56-47)32-31-45-33-52(38-51-45)50(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-33,38,46-49H,34-37H2/b32-31+/t46-,47+,48-,49+/m0/s1.
What are the key properties of 4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole?
4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole has a molecular weight of 738.93 g/mol, XLogP of 9.89, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole is sourced from PubChem (CID 25270681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).