[(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol

C26H28FNO3 — CID 170087757

IUPAC[(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol
SMILESCOc1ccc(C(N[C@@H]2[C@H](F)[C@@H](CO)O[C@H]2C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28FNO3/c1-18-25(24(27)23(17-29)31-18)28-26(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(30-2)16-14-21/h3-16,18,23-25,28-29H,17H2,1-2H3/t18-,23+,24+,25-/m0/s1
InChIKeyHUINRGYVVVWKER-YCXHYSRHSA-N
MW421.51 g/mol
LogP4.06
Rot. Bonds7

About [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol

[(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol (PubChem CID 170087757) has the molecular formula C26H28FNO3 and a molecular weight of 421.51 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol
PubChem CID170087757
Molecular FormulaC26H28FNO3
Molecular Weight421.51 g/mol
Exact Mass421.21
IUPAC Name[(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol
SMILESCOc1ccc(C(N[C@@H]2[C@H](F)[C@@H](CO)O[C@H]2C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28FNO3/c1-18-25(24(27)23(17-29)31-18)28-26(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(30-2)16-14-21/h3-16,18,23-25,28-29H,17H2,1-2H3/t18-,23+,24+,25-/m0/s1
InChIKeyHUINRGYVVVWKER-YCXHYSRHSA-N
XLogP4.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol with MolForge

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Related Compounds

(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942
(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57184983
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918
9-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2,3-dihydro-1H-purin-6-one
CID 123421532
N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
CID 11795851
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol
CID 101065100
[(2S,3R,4R,5R)-4-fluoro-3-hydroxy-2-(hydroxymethyl)-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]oxolan-2-yl] hypofluorite
CID 134359679
1-[(2R,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169068427
9-[(2R,4S,5R)-5-ethyl-4-fluoro-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-N-tritylpurin-6-amine;[(2R,3S,5R)-3-fluoro-4-[(4-methoxyphenyl)methoxy]-5-[6-(tritylamino)purin-9-yl]oxolan-2-yl]methanol;methane
CID 163747444
CID 165056793
CID 165056793

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol (CID 170087757) is [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol is COc1ccc(C(N[C@@H]2[C@H](F)[C@@H](CO)O[C@H]2C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol?
The InChIKey is HUINRGYVVVWKER-YCXHYSRHSA-N. The full InChI is InChI=1S/C26H28FNO3/c1-18-25(24(27)23(17-29)31-18)28-26(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(30-2)16-14-21/h3-16,18,23-25,28-29H,17H2,1-2H3/t18-,23+,24+,25-/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol?
[(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol has a molecular weight of 421.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-3-fluoro-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 170087757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).