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

C25H24FNO6 — CID 59739920

IUPAC(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](n2cc(Cc3ccc4cc(O)ccc4c3)c3c(F)cccc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C25H24FNO6/c26-18-2-1-3-19-21(18)16(9-13-4-5-15-10-17(29)7-6-14(15)8-13)11-27(19)25-24(32)23(31)22(30)20(12-28)33-25/h1-8,10-11,20,22-25,28-32H,9,12H2/t20-,22-,23+,24-,25-/m1/s1
InChIKeyLONITCMTKLHEHU-PRDVQWLOSA-N
MW453.47 g/mol
LogP2.20
Rot. Bonds4

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

(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59739920) has the molecular formula C25H24FNO6 and a molecular weight of 453.47 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID59739920
Molecular FormulaC25H24FNO6
Molecular Weight453.47 g/mol
Exact Mass453.16
IUPAC Name(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](n2cc(Cc3ccc4cc(O)ccc4c3)c3c(F)cccc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C25H24FNO6/c26-18-2-1-3-19-21(18)16(9-13-4-5-15-10-17(29)7-6-14(15)8-13)11-27(19)25-24(32)23(31)22(30)20(12-28)33-25/h1-8,10-11,20,22-25,28-32H,9,12H2/t20-,22-,23+,24-,25-/m1/s1
InChIKeyLONITCMTKLHEHU-PRDVQWLOSA-N
XLogP2.20
TPSA115.31 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-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-[3-(1-benzofuran-5-ylmethyl)-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67194463
(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
(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
[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
(3R,4S,5S,6R)-2-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59595018
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
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-[5-chloro-3-(6-hydroxynaphthalen-2-yl)sulfanylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59740069

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (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) is (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-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-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](n2cc(Cc3ccc4cc(O)ccc4c3)c3c(F)cccc32)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is LONITCMTKLHEHU-PRDVQWLOSA-N. The full InChI is InChI=1S/C25H24FNO6/c26-18-2-1-3-19-21(18)16(9-13-4-5-15-10-17(29)7-6-14(15)8-13)11-27(19)25-24(32)23(31)22(30)20(12-28)33-25/h1-8,10-11,20,22-25,28-32H,9,12H2/t20-,22-,23+,24-,25-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 453.47 g/mol, XLogP of 2.20, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[4-fluoro-3-[(6-hydroxynaphthalen-2-yl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59739920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).