(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C23H26FNO6S — CID 59739995

IUPAC(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCc1cc(F)cc2c(Sc3ccc(CCO)cc3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12
InChIInChI=1S/C23H26FNO6S/c1-12-8-14(24)9-16-18(32-15-4-2-13(3-5-15)6-7-26)10-25(19(12)16)23-22(30)21(29)20(28)17(11-27)31-23/h2-5,8-10,17,20-23,26-30H,6-7,11H2,1H3/t17-,20-,21+,22-,23-/m1/s1
InChIKeyOAIOXQZMDSAWLF-LDBVRRDLSA-N
MW463.53 g/mol
LogP1.75
Rot. Bonds6

About (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59739995) has the molecular formula C23H26FNO6S and a molecular weight of 463.53 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID59739995
Molecular FormulaC23H26FNO6S
Molecular Weight463.53 g/mol
Exact Mass463.15
IUPAC Name(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCc1cc(F)cc2c(Sc3ccc(CCO)cc3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12
InChIInChI=1S/C23H26FNO6S/c1-12-8-14(24)9-16-18(32-15-4-2-13(3-5-15)6-7-26)10-25(19(12)16)23-22(30)21(29)20(28)17(11-27)31-23/h2-5,8-10,17,20-23,26-30H,6-7,11H2,1H3/t17-,20-,21+,22-,23-/m1/s1
InChIKeyOAIOXQZMDSAWLF-LDBVRRDLSA-N
XLogP1.75
TPSA115.31 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 51.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-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-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59739995) is (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-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-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is Cc1cc(F)cc2c(Sc3ccc(CCO)cc3)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is OAIOXQZMDSAWLF-LDBVRRDLSA-N. The full InChI is InChI=1S/C23H26FNO6S/c1-12-8-14(24)9-16-18(32-15-4-2-13(3-5-15)6-7-26)10-25(19(12)16)23-22(30)21(29)20(28)17(11-27)31-23/h2-5,8-10,17,20-23,26-30H,6-7,11H2,1H3/t17-,20-,21+,22-,23-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 463.53 g/mol, XLogP of 1.75, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[5-fluoro-3-[4-(2-hydroxyethyl)phenyl]sulfanyl-7-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59739995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).