2-(trityloxymethyl)oxane-3,4-diol

C25H26O4 — CID 85275479

IUPAC2-(trityloxymethyl)oxane-3,4-diol
SMILESOC1CCOC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1O
InChIInChI=1S/C25H26O4/c26-22-16-17-28-23(24(22)27)18-29-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,26-27H,16-18H2
InChIKeyOKCLJIGLDOWJIQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.51
Rot. Bonds6

About 2-(trityloxymethyl)oxane-3,4-diol

2-(trityloxymethyl)oxane-3,4-diol (PubChem CID 85275479) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(trityloxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-(trityloxymethyl)oxane-3,4-diol
PubChem CID85275479
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name2-(trityloxymethyl)oxane-3,4-diol
SMILESOC1CCOC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1O
InChIInChI=1S/C25H26O4/c26-22-16-17-28-23(24(22)27)18-29-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,26-27H,16-18H2
InChIKeyOKCLJIGLDOWJIQ-UHFFFAOYSA-N
XLogP3.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
2-(phenoxymethyl)oxane-3,4-diol
CID 171557855
(2R,3S,4R,6S)-6-methoxy-2-(trityloxymethyl)oxane-3,4-diol
CID 11811858
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
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,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
(1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile
CID 53349932
(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
CID 171122589

Frequently Asked Questions

What is the IUPAC name of 2-(trityloxymethyl)oxane-3,4-diol?
The IUPAC name of 2-(trityloxymethyl)oxane-3,4-diol (CID 85275479) is 2-(trityloxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2-(trityloxymethyl)oxane-3,4-diol?
The canonical SMILES for 2-(trityloxymethyl)oxane-3,4-diol is OC1CCOC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1O.
What is the InChIKey of 2-(trityloxymethyl)oxane-3,4-diol?
The InChIKey is OKCLJIGLDOWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c26-22-16-17-28-23(24(22)27)18-29-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,26-27H,16-18H2.
What are the key properties of 2-(trityloxymethyl)oxane-3,4-diol?
2-(trityloxymethyl)oxane-3,4-diol has a molecular weight of 390.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trityloxymethyl)oxane-3,4-diol is sourced from PubChem (CID 85275479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).