2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane

C45H42O5 — CID 14779420

IUPAC2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
SMILESc1ccc(COC2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C45H42O5/c1-7-19-35(20-8-1)31-46-42-41(50-44(48-33-37-23-11-3-12-24-37)43(42)47-32-36-21-9-2-10-22-36)34-49-45(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41-44H,31-34H2
InChIKeyVHFHQVJLHRODKI-UHFFFAOYSA-N
MW662.83 g/mol
LogP9.11
Rot. Bonds15

About 2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane

2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane (PubChem CID 14779420) has the molecular formula C45H42O5 and a molecular weight of 662.83 g/mol. Its IUPAC name is 2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane.

Molecular Properties

Compound Name2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
PubChem CID14779420
Molecular FormulaC45H42O5
Molecular Weight662.83 g/mol
Exact Mass662.30
IUPAC Name2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
SMILESc1ccc(COC2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C45H42O5/c1-7-19-35(20-8-1)31-46-42-41(50-44(48-33-37-23-11-3-12-24-37)43(42)47-32-36-21-9-2-10-22-36)34-49-45(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41-44H,31-34H2
InChIKeyVHFHQVJLHRODKI-UHFFFAOYSA-N
XLogP9.11
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.83
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol
CID 71814240
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 15947732
[(2S,3R,4R,5R,6S)-2-phenylmethoxy-3,5-diphosphonooxy-6-(trityloxymethyl)oxan-4-yl] dihydrogen phosphate
CID 124748579
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane
CID 70896291
(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
CID 11072183
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
(2S,3R,4S,5R,6R)-5-phenoxy-3,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-2-thiol
CID 87877938

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane?
The IUPAC name of 2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane (CID 14779420) is 2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane.
What is the SMILES notation for 2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane?
The canonical SMILES for 2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane is c1ccc(COC2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1.
What is the InChIKey of 2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane?
The InChIKey is VHFHQVJLHRODKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42O5/c1-7-19-35(20-8-1)31-46-42-41(50-44(48-33-37-23-11-3-12-24-37)43(42)47-32-36-21-9-2-10-22-36)34-49-45(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41-44H,31-34H2.
What are the key properties of 2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane?
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane has a molecular weight of 662.83 g/mol, XLogP of 9.11, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane is sourced from PubChem (CID 14779420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).