(2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C23H22FNO6 — CID 67194463

IUPAC(2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](n2cc(Cc3ccc4occc4c3)c3c(F)cccc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H22FNO6/c24-15-2-1-3-16-19(15)14(9-12-4-5-17-13(8-12)6-7-30-17)10-25(16)23-22(29)21(28)20(27)18(11-26)31-23/h1-8,10,18,20-23,26-29H,9,11H2/t18-,20-,21+,22-,23-/m1/s1
InChIKeyOMVMIBNWQLVMDI-DODNOZFWSA-N
MW427.43 g/mol
LogP2.09
Rot. Bonds4

About (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 67194463) has the molecular formula C23H22FNO6 and a molecular weight of 427.43 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID67194463
Molecular FormulaC23H22FNO6
Molecular Weight427.43 g/mol
Exact Mass427.14
IUPAC Name(2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](n2cc(Cc3ccc4occc4c3)c3c(F)cccc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H22FNO6/c24-15-2-1-3-16-19(15)14(9-12-4-5-17-13(8-12)6-7-30-17)10-25(16)23-22(29)21(28)20(27)18(11-26)31-23/h1-8,10,18,20-23,26-29H,9,11H2/t18-,20-,21+,22-,23-/m1/s1
InChIKeyOMVMIBNWQLVMDI-DODNOZFWSA-N
XLogP2.09
TPSA108.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59739920
(2R,3R,4S,5S,6R)-2-[3-[(4-cyclopropylphenyl)methyl]-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 24759836
(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-[4-bromo-3-[(4-bromophenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67199188
(3R,4S,5S,6R)-2-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59595018
(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
4-[4-[[4-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methyl]phenyl]butanamide
CID 59740083
[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
bis((2S,3R,4S,5S,6R)-2-[3-[(4-ethylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol);hydrate
CID 90283056
ethanol;(2R,3R,4S,5S,6R)-2-[3-[(4-ethylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71473769
(2R,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethylphenyl)methyl]indol-1-yl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 68847888
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 67194463) is (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](n2cc(Cc3ccc4occc4c3)c3c(F)cccc32)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is OMVMIBNWQLVMDI-DODNOZFWSA-N. The full InChI is InChI=1S/C23H22FNO6/c24-15-2-1-3-16-19(15)14(9-12-4-5-17-13(8-12)6-7-30-17)10-25(16)23-22(29)21(28)20(27)18(11-26)31-23/h1-8,10,18,20-23,26-29H,9,11H2/t18-,20-,21+,22-,23-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 427.43 g/mol, XLogP of 2.09, 4 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-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 67194463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).