2-(trityloxymethyl)oxane-3,4,5-triol

C25H26O5 — CID 73104798

IUPAC2-(trityloxymethyl)oxane-3,4,5-triol
SMILESOC1COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)C1O
InChIInChI=1S/C25H26O5/c26-21-16-29-22(24(28)23(21)27)17-30-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-24,26-28H,16-17H2
InChIKeyIGXIZHHOUCTSIQ-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.48
Rot. Bonds6

About 2-(trityloxymethyl)oxane-3,4,5-triol

2-(trityloxymethyl)oxane-3,4,5-triol (PubChem CID 73104798) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(trityloxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(trityloxymethyl)oxane-3,4,5-triol
PubChem CID73104798
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Name2-(trityloxymethyl)oxane-3,4,5-triol
SMILESOC1COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)C1O
InChIInChI=1S/C25H26O5/c26-21-16-29-22(24(28)23(21)27)17-30-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-24,26-28H,16-17H2
InChIKeyIGXIZHHOUCTSIQ-UHFFFAOYSA-N
XLogP2.48
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(trityloxymethyl)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
2-(trityloxymethyl)oxane-3,4-diol
CID 85275479
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
(2R,3R,4R,5R,6S)-3-iodo-6-(trityloxymethyl)oxane-2,4,5-triol
CID 171122589
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
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
(2R,3S,4R,6S)-6-methoxy-2-(trityloxymethyl)oxane-3,4-diol
CID 11811858
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501

Frequently Asked Questions

What is the IUPAC name of 2-(trityloxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-(trityloxymethyl)oxane-3,4,5-triol (CID 73104798) is 2-(trityloxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(trityloxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-(trityloxymethyl)oxane-3,4,5-triol is OC1COC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)C1O.
What is the InChIKey of 2-(trityloxymethyl)oxane-3,4,5-triol?
The InChIKey is IGXIZHHOUCTSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O5/c26-21-16-29-22(24(28)23(21)27)17-30-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-24,26-28H,16-17H2.
What are the key properties of 2-(trityloxymethyl)oxane-3,4,5-triol?
2-(trityloxymethyl)oxane-3,4,5-triol has a molecular weight of 406.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trityloxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 73104798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).