(3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol

C46H44O6 — CID 154508744

IUPAC(3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol
SMILESO[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(OCc2ccccc2)[C@@](O)(Cc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C46H44O6/c47-42-41(34-51-46(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40)52-44(50-33-37-23-11-3-12-24-37)45(48,31-35-19-7-1-8-20-35)43(42)49-32-36-21-9-2-10-22-36/h1-30,41-44,47-48H,31-34H2/t41-,42-,43+,44?,45-/m1/s1
InChIKeyLWYWYNYRUWBGNU-LOLABWHPSA-N
MW692.85 g/mol
LogP7.86
Rot. Bonds14

About (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol

(3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol (PubChem CID 154508744) has the molecular formula C46H44O6 and a molecular weight of 692.85 g/mol. Its IUPAC name is (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol
PubChem CID154508744
Molecular FormulaC46H44O6
Molecular Weight692.85 g/mol
Exact Mass692.31
IUPAC Name(3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol
SMILESO[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(OCc2ccccc2)[C@@](O)(Cc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C46H44O6/c47-42-41(34-51-46(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40)52-44(50-33-37-23-11-3-12-24-37)45(48,31-35-19-7-1-8-20-35)43(42)49-32-36-21-9-2-10-22-36/h1-30,41-44,47-48H,31-34H2/t41-,42-,43+,44?,45-/m1/s1
InChIKeyLWYWYNYRUWBGNU-LOLABWHPSA-N
XLogP7.86
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.85
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol with MolForge

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Related Compounds

(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
(3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one
CID 134934788
(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(trityloxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 171126524
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
CID 171122589
(2R,3S,4R,5S,6S)-3-benzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 70189046
[2-hydroxy-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-3-yl] acetate
CID 171122090

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol?
The IUPAC name of (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol (CID 154508744) is (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol.
What is the SMILES notation for (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol?
The canonical SMILES for (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol is O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(OCc2ccccc2)[C@@](O)(Cc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol?
The InChIKey is LWYWYNYRUWBGNU-LOLABWHPSA-N. The full InChI is InChI=1S/C46H44O6/c47-42-41(34-51-46(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40)52-44(50-33-37-23-11-3-12-24-37)45(48,31-35-19-7-1-8-20-35)43(42)49-32-36-21-9-2-10-22-36/h1-30,41-44,47-48H,31-34H2/t41-,42-,43+,44?,45-/m1/s1.
What are the key properties of (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol?
(3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol has a molecular weight of 692.85 g/mol, XLogP of 7.86, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-3-benzyl-2,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-3,5-diol is sourced from PubChem (CID 154508744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).