(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol

C26H27FO5 — CID 173330090

IUPAC(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
SMILESCOc1ccc(C(OC[C@H]2OC[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27FO5/c1-29-21-12-8-19(9-13-21)26(18-6-4-3-5-7-18,20-10-14-22(30-2)15-11-20)32-17-24-25(28)23(27)16-31-24/h3-15,23-25,28H,16-17H2,1-2H3/t23-,24-,25+/m1/s1
InChIKeyOVQGDURUEYGPOW-SDHSZQHLSA-N
MW438.50 g/mol
LogP4.11
Rot. Bonds8

About (2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol

(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol (PubChem CID 173330090) has the molecular formula C26H27FO5 and a molecular weight of 438.50 g/mol. Its IUPAC name is (2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
PubChem CID173330090
Molecular FormulaC26H27FO5
Molecular Weight438.50 g/mol
Exact Mass438.18
IUPAC Name(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
SMILESCOc1ccc(C(OC[C@H]2OC[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27FO5/c1-29-21-12-8-19(9-13-21)26(18-6-4-3-5-7-18,20-10-14-22(30-2)15-11-20)32-17-24-25(28)23(27)16-31-24/h3-15,23-25,28H,16-17H2,1-2H3/t23-,24-,25+/m1/s1
InChIKeyOVQGDURUEYGPOW-SDHSZQHLSA-N
XLogP4.11
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(2R,3R)-3-fluoro-2-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolane
CID 68719586
CID 89240141
CID 89240141
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273
(3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,4-diol
CID 69329004
(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 176862335

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol?
The IUPAC name of (2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol (CID 173330090) is (2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol.
What is the SMILES notation for (2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol?
The canonical SMILES for (2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol is COc1ccc(C(OC[C@H]2OC[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol?
The InChIKey is OVQGDURUEYGPOW-SDHSZQHLSA-N. The full InChI is InChI=1S/C26H27FO5/c1-29-21-12-8-19(9-13-21)26(18-6-4-3-5-7-18,20-10-14-22(30-2)15-11-20)32-17-24-25(28)23(27)16-31-24/h3-15,23-25,28H,16-17H2,1-2H3/t23-,24-,25+/m1/s1.
What are the key properties of (2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol?
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol has a molecular weight of 438.50 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol is sourced from PubChem (CID 173330090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).