(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol

C26H27FO6 — CID 171124942

IUPAC(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
SMILESCOc1ccc(C(OC[C@H]2O[C@@H](O)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27FO6/c1-30-20-12-8-18(9-13-20)26(17-6-4-3-5-7-17,19-10-14-21(31-2)15-11-19)32-16-22-24(28)23(27)25(29)33-22/h3-15,22-25,28-29H,16H2,1-2H3/t22-,23-,24-,25-/m1/s1
InChIKeyYJGNRBCEEWWVFM-ZGFBMJKBSA-N
MW454.49 g/mol
LogP3.43
Rot. Bonds8

About (2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol

(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol (PubChem CID 171124942) has the molecular formula C26H27FO6 and a molecular weight of 454.49 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
PubChem CID171124942
Molecular FormulaC26H27FO6
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC Name(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
SMILESCOc1ccc(C(OC[C@H]2O[C@@H](O)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27FO6/c1-30-20-12-8-18(9-13-20)26(17-6-4-3-5-7-17,19-10-14-21(31-2)15-11-19)32-16-22-24(28)23(27)25(29)33-22/h3-15,22-25,28-29H,16H2,1-2H3/t22-,23-,24-,25-/m1/s1
InChIKeyYJGNRBCEEWWVFM-ZGFBMJKBSA-N
XLogP3.43
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(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
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol
CID 171123594
(2R,3aR,4S,6R,6aR)-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11478258
(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 67203435
(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluoro-5-(6-methylpurin-9-yl)oxolan-3-ol
CID 134322341
CID 89240141
CID 89240141
(2R,3R,4R,5R)-4-fluoro-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 101037426
N-[1-[(3S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 171699392

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol?
The IUPAC name of (2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol (CID 171124942) is (2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol is COc1ccc(C(OC[C@H]2O[C@@H](O)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol?
The InChIKey is YJGNRBCEEWWVFM-ZGFBMJKBSA-N. The full InChI is InChI=1S/C26H27FO6/c1-30-20-12-8-18(9-13-20)26(17-6-4-3-5-7-17,19-10-14-21(31-2)15-11-19)32-16-22-24(28)23(27)25(29)33-22/h3-15,22-25,28-29H,16H2,1-2H3/t22-,23-,24-,25-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol?
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol has a molecular weight of 454.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol is sourced from PubChem (CID 171124942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).