(2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C13H14FNO4 — CID 102082487

IUPAC(2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2ccc3cccc(F)c32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H14FNO4/c14-8-3-1-2-7-4-5-15(10(7)8)13-12(18)11(17)9(6-16)19-13/h1-5,9,11-13,16-18H,6H2/t9-,11-,12-,13-/m1/s1
InChIKeyOEGZBGPFOCDFBL-OJAKKHQRSA-N
MW267.26 g/mol
LogP0.39
Rot. Bonds2

About (2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 102082487) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID102082487
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name(2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2ccc3cccc(F)c32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H14FNO4/c14-8-3-1-2-7-4-5-15(10(7)8)13-12(18)11(17)9(6-16)19-13/h1-5,9,11-13,16-18H,6H2/t9-,11-,12-,13-/m1/s1
InChIKeyOEGZBGPFOCDFBL-OJAKKHQRSA-N
XLogP0.39
TPSA74.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 102082487) is (2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2ccc3cccc(F)c32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is OEGZBGPFOCDFBL-OJAKKHQRSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-8-3-1-2-7-4-5-15(10(7)8)13-12(18)11(17)9(6-16)19-13/h1-5,9,11-13,16-18H,6H2/t9-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 267.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(7-fluoroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 102082487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).