(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C26H25F2NO5 — CID 59740390

IUPAC(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCc1cc(F)c2c(Cc3ccc4cc(F)ccc4c3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1
InChIInChI=1S/C26H25F2NO5/c1-13-6-19(28)22-17(9-14-2-3-16-10-18(27)5-4-15(16)8-14)11-29(20(22)7-13)26-25(33)24(32)23(31)21(12-30)34-26/h2-8,10-11,21,23-26,30-33H,9,12H2,1H3/t21-,23-,24+,25-,26-/m1/s1
InChIKeyFIFSEXXAZIWHBC-XDXGNBCUSA-N
MW469.48 g/mol
LogP2.94
Rot. Bonds4

About (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59740390) has the molecular formula C26H25F2NO5 and a molecular weight of 469.48 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID59740390
Molecular FormulaC26H25F2NO5
Molecular Weight469.48 g/mol
Exact Mass469.17
IUPAC Name(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCc1cc(F)c2c(Cc3ccc4cc(F)ccc4c3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1
InChIInChI=1S/C26H25F2NO5/c1-13-6-19(28)22-17(9-14-2-3-16-10-18(27)5-4-15(16)8-14)11-29(20(22)7-13)26-25(33)24(32)23(31)21(12-30)34-26/h2-8,10-11,21,23-26,30-33H,9,12H2,1H3/t21-,23-,24+,25-,26-/m1/s1
InChIKeyFIFSEXXAZIWHBC-XDXGNBCUSA-N
XLogP2.94
TPSA95.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59740390) is (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is Cc1cc(F)c2c(Cc3ccc4cc(F)ccc4c3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is FIFSEXXAZIWHBC-XDXGNBCUSA-N. The full InChI is InChI=1S/C26H25F2NO5/c1-13-6-19(28)22-17(9-14-2-3-16-10-18(27)5-4-15(16)8-14)11-29(20(22)7-13)26-25(33)24(32)23(31)21(12-30)34-26/h2-8,10-11,21,23-26,30-33H,9,12H2,1H3/t21-,23-,24+,25-,26-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 469.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-fluoronaphthalen-2-yl)methyl]-6-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59740390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).