(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole

C13H17NO4 — CID 66738003

IUPAC(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole
SMILESOC[C@H]1OC[C@H](O)[C@@H]1O.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C5H10O4/c1-2-4-8-7(3-1)5-6-9-8;6-1-4-5(8)3(7)2-9-4/h1-6,9H;3-8H,1-2H2/t;3-,4+,5-/m.0/s1
InChIKeyHXGWJDHANWBJKO-HEEXEHOYSA-N
MW251.28 g/mol
LogP0.27
Rot. Bonds1

About (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole

(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole (PubChem CID 66738003) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole.

Molecular Properties

Compound Name(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole
PubChem CID66738003
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole
SMILESOC[C@H]1OC[C@H](O)[C@@H]1O.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C5H10O4/c1-2-4-8-7(3-1)5-6-9-8;6-1-4-5(8)3(7)2-9-4/h1-6,9H;3-8H,1-2H2/t;3-,4+,5-/m.0/s1
InChIKeyHXGWJDHANWBJKO-HEEXEHOYSA-N
XLogP0.27
TPSA85.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole?
The IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole (CID 66738003) is (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole.
What is the SMILES notation for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole?
The canonical SMILES for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole is OC[C@H]1OC[C@H](O)[C@@H]1O.c1ccc2[nH]ccc2c1.
What is the InChIKey of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole?
The InChIKey is HXGWJDHANWBJKO-HEEXEHOYSA-N. The full InChI is InChI=1S/C8H7N.C5H10O4/c1-2-4-8-7(3-1)5-6-9-8;6-1-4-5(8)3(7)2-9-4/h1-6,9H;3-8H,1-2H2/t;3-,4+,5-/m.0/s1.
What are the key properties of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole?
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole has a molecular weight of 251.28 g/mol, XLogP of 0.27, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;1H-indole is sourced from PubChem (CID 66738003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).