(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol

C13H15NO4 — CID 11736785

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol
SMILESOC[C@H]1OC(c2cc3ccccc3[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H15NO4/c15-6-10-11(16)12(17)13(18-10)9-5-7-3-1-2-4-8(7)14-9/h1-5,10-17H,6H2/t10-,11-,12-,13?/m1/s1
InChIKeyRSOJJAMOJAUGPJ-PFGBXZAXSA-N
MW249.27 g/mol
LogP0.32
Rot. Bonds2

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

(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol (PubChem CID 11736785) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol
PubChem CID11736785
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol
SMILESOC[C@H]1OC(c2cc3ccccc3[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H15NO4/c15-6-10-11(16)12(17)13(18-10)9-5-7-3-1-2-4-8(7)14-9/h1-5,10-17H,6H2/t10-,11-,12-,13?/m1/s1
InChIKeyRSOJJAMOJAUGPJ-PFGBXZAXSA-N
XLogP0.32
TPSA85.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-nitro-1H-indol-2-yl)oxolane-3,4-diol
CID 67175144
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol
CID 22899375
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol
CID 68816957
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol
CID 70460334
[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-2-yl)acetate
CID 129205741
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene
CID 162037384
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-iodo-1H-benzimidazol-2-yl)oxolane-3,4-diol
CID 10904882
(2S,3R,4R,5S,6R)-2-(6-fluoro-1H-benzimidazol-2-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72724263
(3aR,5R,6S,6aR)-5-(1H-indol-2-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 71604787
(2S,3R,4R,5S,6R)-2-(6-chloro-1H-benzimidazol-2-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72724264

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol (CID 11736785) is (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol is OC[C@H]1OC(c2cc3ccccc3[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol?
The InChIKey is RSOJJAMOJAUGPJ-PFGBXZAXSA-N. The full InChI is InChI=1S/C13H15NO4/c15-6-10-11(16)12(17)13(18-10)9-5-7-3-1-2-4-8(7)14-9/h1-5,10-17H,6H2/t10-,11-,12-,13?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol has a molecular weight of 249.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol is sourced from PubChem (CID 11736785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).