sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate

C69H81F6NaO18 — CID 158135687

IUPACsodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate
SMILESCCOC(=O)OCC1OC(c2ccc(F)c(Cc3ccc(OC)cc3)c2)C(C)C(C)C1F.CCOC(=O)OCC1OC(c2ccc(F)c(Cc3ccc(OC)cc3)c2)C(O)C(O)C1F.COc1ccc(Cc2cc(C3OC(CO)C(F)C(O)C3O)ccc2F)cc1.C[O-].[Na+]
InChIInChI=1S/C25H30F2O5.C23H26F2O7.C20H22F2O5.CH3O.Na/c1-5-30-25(28)31-14-22-23(27)15(2)16(3)24(32-22)18-8-11-21(26)19(13-18)12-17-6-9-20(29-4)10-7-17;1-3-30-23(28)31-12-18-19(25)20(26)21(27)22(32-18)14-6-9-17(24)15(11-14)10-13-4-7-16(29-2)8-5-13;1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(22)16(10-23)27-20;1-2;/h6-11,13,15-16,22-24H,5,12,14H2,1-4H3;4-9,11,18-22,26-27H,3,10,12H2,1-2H3;2-7,9,16-20,23-25H,8,10H2,1H3;1H3;/q;;;-1;+1
InChIKeyFTHXOUQMXPZKTB-UHFFFAOYSA-N
MW1335.37 g/mol
LogP6.64
Rot. Bonds19

About sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate

sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate (PubChem CID 158135687) has the molecular formula C69H81F6NaO18 and a molecular weight of 1335.37 g/mol. Its IUPAC name is sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate.

Molecular Properties

Compound Namesodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate
PubChem CID158135687
Molecular FormulaC69H81F6NaO18
Molecular Weight1335.37 g/mol
Exact Mass1334.52
IUPAC Namesodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate
SMILESCCOC(=O)OCC1OC(c2ccc(F)c(Cc3ccc(OC)cc3)c2)C(C)C(C)C1F.CCOC(=O)OCC1OC(c2ccc(F)c(Cc3ccc(OC)cc3)c2)C(O)C(O)C1F.COc1ccc(Cc2cc(C3OC(CO)C(F)C(O)C3O)ccc2F)cc1.C[O-].[Na+]
InChIInChI=1S/C25H30F2O5.C23H26F2O7.C20H22F2O5.CH3O.Na/c1-5-30-25(28)31-14-22-23(27)15(2)16(3)24(32-22)18-8-11-21(26)19(13-18)12-17-6-9-20(29-4)10-7-17;1-3-30-23(28)31-12-18-19(25)20(26)21(27)22(32-18)14-6-9-17(24)15(11-14)10-13-4-7-16(29-2)8-5-13;1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(22)16(10-23)27-20;1-2;/h6-11,13,15-16,22-24H,5,12,14H2,1-4H3;4-9,11,18-22,26-27H,3,10,12H2,1-2H3;2-7,9,16-20,23-25H,8,10H2,1H3;1H3;/q;;;-1;+1
InChIKeyFTHXOUQMXPZKTB-UHFFFAOYSA-N
XLogP6.64
TPSA250.65 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001335.37
LogP ≤ 56.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate with MolForge

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Related Compounds

ethyl [6-[3-[(4-ethylphenyl)methyl]-4-methylphenyl]-3-fluoro-4,5-dihydroxyoxan-2-yl]methyl carbonate;2-[3-[(4-ethylphenyl)methyl]-4-methylphenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 158448449
ethyl [6-[4-fluoro-3-[(5-methoxy-2-pyridinyl)methyl]phenyl]-3-hydroxy-4,5-dimethyloxan-2-yl]methyl carbonate
CID 58178542
ethyl [6-[3-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)phenyl]-3-fluoro-4,5-dihydroxyoxan-2-yl]methyl carbonate
CID 58178539
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 124643535
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-(18F)fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 71491052
[3,3-difluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl hydrogen carbonate
CID 70986864
N-[(3S,4S,5R,6S)-6-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]acetamide
CID 143209504
[3,3-difluoro-4,5-dihydroxy-6-[3-[(4-methoxyphenyl)methyl]-4-(trifluoromethoxy)phenyl]oxan-2-yl]methyl ethyl carbonate
CID 70986926
ethyl [3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methyl carbonate
CID 22506569
2-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 58178469
(2S,3R,4R,5S,6R)-2-[4-fluoro-3-[(4-phenylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 86267855
(3R,4R,5S,6R)-2-[3-[[4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]phenyl]methyl]-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66583045

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate?
The IUPAC name of sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate (CID 158135687) is sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate.
What is the SMILES notation for sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate?
The canonical SMILES for sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate is CCOC(=O)OCC1OC(c2ccc(F)c(Cc3ccc(OC)cc3)c2)C(C)C(C)C1F.CCOC(=O)OCC1OC(c2ccc(F)c(Cc3ccc(OC)cc3)c2)C(O)C(O)C1F.COc1ccc(Cc2cc(C3OC(CO)C(F)C(O)C3O)ccc2F)cc1.C[O-].[Na+].
What is the InChIKey of sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate?
The InChIKey is FTHXOUQMXPZKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2O5.C23H26F2O7.C20H22F2O5.CH3O.Na/c1-5-30-25(28)31-14-22-23(27)15(2)16(3)24(32-22)18-8-11-21(26)19(13-18)12-17-6-9-20(29-4)10-7-17;1-3-30-23(28)31-12-18-19(25)20(26)21(27)22(32-18)14-6-9-17(24)15(11-14)10-13-4-7-16(29-2)8-5-13;1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(22)16(10-23)27-20;1-2;/h6-11,13,15-16,22-24H,5,12,14H2,1-4H3;4-9,11,18-22,26-27H,3,10,12H2,1-2H3;2-7,9,16-20,23-25H,8,10H2,1H3;1H3;/q;;;-1;+1.
What are the key properties of sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate?
sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate has a molecular weight of 1335.37 g/mol, XLogP of 6.64, 19 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dihydroxyoxan-2-yl]methyl carbonate;ethyl [3-fluoro-6-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-4,5-dimethyloxan-2-yl]methyl carbonate;5-fluoro-2-[4-fluoro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;methanolate is sourced from PubChem (CID 158135687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).