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

C24H28FNO6 — CID 59740252

IUPAC(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC(C)Oc1ccc(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccc(F)cc23)cc1
InChIInChI=1S/C24H28FNO6/c1-13(2)31-17-6-3-14(4-7-17)9-15-11-26(19-8-5-16(25)10-18(15)19)24-23(30)22(29)21(28)20(12-27)32-24/h3-8,10-11,13,20-24,27-30H,9,12H2,1-2H3/t20-,21-,22+,23-,24-/m1/s1
InChIKeyXFLBXUDLKFSMPZ-GNADVCDUSA-N
MW445.49 g/mol
LogP2.13
Rot. Bonds6

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

(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59740252) has the molecular formula C24H28FNO6 and a molecular weight of 445.49 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID59740252
Molecular FormulaC24H28FNO6
Molecular Weight445.49 g/mol
Exact Mass445.19
IUPAC Name(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC(C)Oc1ccc(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccc(F)cc23)cc1
InChIInChI=1S/C24H28FNO6/c1-13(2)31-17-6-3-14(4-7-17)9-15-11-26(19-8-5-16(25)10-18(15)19)24-23(30)22(29)21(28)20(12-27)32-24/h3-8,10-11,13,20-24,27-30H,9,12H2,1-2H3/t20-,21-,22+,23-,24-/m1/s1
InChIKeyXFLBXUDLKFSMPZ-GNADVCDUSA-N
XLogP2.13
TPSA104.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-methyl-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]oxane-3,4,5-triol
CID 59739948
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[7-methyl-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]oxane-3,4,5-triol
CID 59739952
ethanol;(2R,3R,4S,5S,6R)-2-[3-[(4-ethylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71473769
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-(4-propan-2-yloxyphenyl)sulfanylindol-1-yl]oxane-3,4,5-triol
CID 59740400
bis((2S,3R,4S,5S,6R)-2-[3-[(4-ethylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol);hydrate
CID 90283056
[6-[[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methyl]naphthalen-2-yl] acetate
CID 59739887
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[[4-(hydroxymethyl)phenyl]methyl]-6-methylindol-1-yl]oxane-3,4,5-triol
CID 59739796
(2R,3R,4S,5S,6R)-2-[3-[(2-fluoro-4-methoxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59739962
(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
(2R,3R,4S,5S,6R)-2-[6-chloro-3-[[4-(2-hydroxyethyl)phenyl]methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59740141
(2R,3R,4S,5S,6R)-2-[7-chloro-3-[(4-methoxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59740076
2-[(4-propan-2-yloxyphenyl)methyl]-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzonitrile
CID 59346346

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59740252) is (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is CC(C)Oc1ccc(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccc(F)cc23)cc1.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is XFLBXUDLKFSMPZ-GNADVCDUSA-N. The full InChI is InChI=1S/C24H28FNO6/c1-13(2)31-17-6-3-14(4-7-17)9-15-11-26(19-8-5-16(25)10-18(15)19)24-23(30)22(29)21(28)20(12-27)32-24/h3-8,10-11,13,20-24,27-30H,9,12H2,1-2H3/t20-,21-,22+,23-,24-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 445.49 g/mol, XLogP of 2.13, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59740252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).