(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C26H27FO5 — CID 57184983

IUPAC(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@]2(F)CO[C@H](CO)[C@H]2O)cc1
InChIInChI=1S/C26H27FO5/c1-30-21-12-8-19(9-13-21)26(18-6-4-3-5-7-18,20-10-14-22(31-2)15-11-20)25(27)17-32-23(16-28)24(25)29/h3-15,23-24,28-29H,16-17H2,1-2H3/t23-,24-,25+/m1/s1
InChIKeyFRXBUZQJKDSYAF-SDHSZQHLSA-N
MW438.50 g/mol
LogP3.50
Rot. Bonds7

About (2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 57184983) has the molecular formula C26H27FO5 and a molecular weight of 438.50 g/mol. Its IUPAC name is (2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID57184983
Molecular FormulaC26H27FO5
Molecular Weight438.50 g/mol
Exact Mass438.18
IUPAC Name(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@]2(F)CO[C@H](CO)[C@H]2O)cc1
InChIInChI=1S/C26H27FO5/c1-30-21-12-8-19(9-13-21)26(18-6-4-3-5-7-18,20-10-14-22(31-2)15-11-20)25(27)17-32-23(16-28)24(25)29/h3-15,23-24,28-29H,16-17H2,1-2H3/t23-,24-,25+/m1/s1
InChIKeyFRXBUZQJKDSYAF-SDHSZQHLSA-N
XLogP3.50
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
[(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol
CID 170087757
(2R,3S,4S,5S)-2-(hydroxymethyl)-4-(4-methoxyphenyl)oxane-3,4,5-triol
CID 57314036
(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 176862335
CID 89240141
CID 89240141
CID 165056793
CID 165056793
1-[(2R,3R,4S,5R)-2-[bis(4-methoxyphenyl)-phenylmethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 70300371
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(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)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane
CID 177315684
(2S,3S,5R)-2-(hydroxymethyl)-5-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-ol
CID 21338227

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 57184983) is (2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@]2(F)CO[C@H](CO)[C@H]2O)cc1.
What is the InChIKey of (2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is FRXBUZQJKDSYAF-SDHSZQHLSA-N. The full InChI is InChI=1S/C26H27FO5/c1-30-21-12-8-19(9-13-21)26(18-6-4-3-5-7-18,20-10-14-22(31-2)15-11-20)25(27)17-32-23(16-28)24(25)29/h3-15,23-24,28-29H,16-17H2,1-2H3/t23-,24-,25+/m1/s1.
What are the key properties of (2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 438.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 57184983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).