3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol

C46H44O6 — CID 76503472

IUPAC3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
SMILESOC1OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C46H44O6/c47-45-44(50-33-37-23-11-3-12-24-37)43(49-32-36-21-9-2-10-22-36)42(48-31-35-19-7-1-8-20-35)41(52-45)34-51-46(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41-45,47H,31-34H2
InChIKeyJSRNONQVULBYES-UHFFFAOYSA-N
MW692.85 g/mol
LogP8.47
Rot. Bonds15

About 3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol

3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol (PubChem CID 76503472) has the molecular formula C46H44O6 and a molecular weight of 692.85 g/mol. Its IUPAC name is 3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol.

Molecular Properties

Compound Name3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
PubChem CID76503472
Molecular FormulaC46H44O6
Molecular Weight692.85 g/mol
Exact Mass692.31
IUPAC Name3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
SMILESOC1OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C46H44O6/c47-45-44(50-33-37-23-11-3-12-24-37)43(49-32-36-21-9-2-10-22-36)42(48-31-35-19-7-1-8-20-35)41(52-45)34-51-46(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41-45,47H,31-34H2
InChIKeyJSRNONQVULBYES-UHFFFAOYSA-N
XLogP8.47
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.85
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
CID 10897967
[2-hydroxy-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-3-yl] acetate
CID 171122090
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
[(2R,3S,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-(trityloxymethyl)oxan-4-yl] acetate
CID 171123467
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866
3,4-dioctoxy-5-(trityloxymethyl)oxolan-2-ol
CID 171123112
(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
CID 11072183
8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol
CID 71814240

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol?
The IUPAC name of 3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol (CID 76503472) is 3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol.
What is the SMILES notation for 3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol?
The canonical SMILES for 3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol is OC1OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol?
The InChIKey is JSRNONQVULBYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44O6/c47-45-44(50-33-37-23-11-3-12-24-37)43(49-32-36-21-9-2-10-22-36)42(48-31-35-19-7-1-8-20-35)41(52-45)34-51-46(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41-45,47H,31-34H2.
What are the key properties of 3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol?
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol has a molecular weight of 692.85 g/mol, XLogP of 8.47, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol is sourced from PubChem (CID 76503472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).