[(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate

C23H27FO7 — CID 134835239

IUPAC[(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate
SMILESCOc1ccc(COC2C(OC(=O)c3ccc(OC)cc3)[C@H](OC)C(C)O[C@H]2F)cc1
InChIInChI=1S/C23H27FO7/c1-14-19(28-4)20(31-23(25)16-7-11-18(27-3)12-8-16)21(22(24)30-14)29-13-15-5-9-17(26-2)10-6-15/h5-12,14,19-22H,13H2,1-4H3/t14?,19-,20?,21?,22-/m1/s1
InChIKeyVOZAZACYDMXHPO-OSABPVFTSA-N
MW434.46 g/mol
LogP3.54
Rot. Bonds8

About [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate

[(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate (PubChem CID 134835239) has the molecular formula C23H27FO7 and a molecular weight of 434.46 g/mol. Its IUPAC name is [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate.

Molecular Properties

Compound Name[(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate
PubChem CID134835239
Molecular FormulaC23H27FO7
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC Name[(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate
SMILESCOc1ccc(COC2C(OC(=O)c3ccc(OC)cc3)[C@H](OC)C(C)O[C@H]2F)cc1
InChIInChI=1S/C23H27FO7/c1-14-19(28-4)20(31-23(25)16-7-11-18(27-3)12-8-16)21(22(24)30-14)29-13-15-5-9-17(26-2)10-6-15/h5-12,14,19-22H,13H2,1-4H3/t14?,19-,20?,21?,22-/m1/s1
InChIKeyVOZAZACYDMXHPO-OSABPVFTSA-N
XLogP3.54
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate with MolForge

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Related Compounds

[(2R,3R,4S,5S,6R)-5-benzoyloxy-6-(4-methoxyphenoxy)-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate
CID 102405341
[(1R,2R,3S,4S,5R,6S)-2,4-dibenzoyloxy-6-[(4-methoxyphenyl)methoxy]-3-phenylmethoxy-5-(phenylmethoxymethoxy)cyclohexyl] benzoate
CID 10101963
benzyl 2-[[(2R,3R,4R,5S,6S)-3-benzoyloxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxan-2-yl]oxymethyl]benzoate
CID 24749003
[(2S,3S,4R,5R,6R)-5-benzoyloxy-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate
CID 15173437
[(2S,3R,4R,5S,6S)-6-methoxy-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] benzoate
CID 10434489
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669
[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate
CID 11446091
(2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane
CID 45039283
[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-hydroxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]methyl benzoate
CID 171121872
[(3S,4R,5R,6S)-5-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyloxan-3-yl] acetate
CID 21307890
(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 59270262
[(2S,3R,4R,5S,6S)-4-[(2R,3R,4S,5S,6R)-5-acetyloxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(4-methoxyphenoxy)-2-methyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 170858234

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate?
The IUPAC name of [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate (CID 134835239) is [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate.
What is the SMILES notation for [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate?
The canonical SMILES for [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate is COc1ccc(COC2C(OC(=O)c3ccc(OC)cc3)[C@H](OC)C(C)O[C@H]2F)cc1.
What is the InChIKey of [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate?
The InChIKey is VOZAZACYDMXHPO-OSABPVFTSA-N. The full InChI is InChI=1S/C23H27FO7/c1-14-19(28-4)20(31-23(25)16-7-11-18(27-3)12-8-16)21(22(24)30-14)29-13-15-5-9-17(26-2)10-6-15/h5-12,14,19-22H,13H2,1-4H3/t14?,19-,20?,21?,22-/m1/s1.
What are the key properties of [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate?
[(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate has a molecular weight of 434.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-2-fluoro-5-methoxy-3-[(4-methoxyphenyl)methoxy]-6-methyloxan-4-yl] 4-methoxybenzoate is sourced from PubChem (CID 134835239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).