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

C13H15NO5 — CID 54355225

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol
SMILESOC[C@H]1OC(Oc2ccc3[nH]ccc3c2)[C@H](O)[C@H]1O
InChIInChI=1S/C13H15NO5/c15-6-10-11(16)12(17)13(19-10)18-8-1-2-9-7(5-8)3-4-14-9/h1-5,10-17H,6H2/t10-,11+,12-,13?/m1/s1
InChIKeyUIQLPLCXMOSWNM-DAAZQVBGSA-N
MW265.26 g/mol
LogP-0.01
Rot. Bonds3

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

(2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol (PubChem CID 54355225) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol
PubChem CID54355225
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol
SMILESOC[C@H]1OC(Oc2ccc3[nH]ccc3c2)[C@H](O)[C@H]1O
InChIInChI=1S/C13H15NO5/c15-6-10-11(16)12(17)13(19-10)18-8-1-2-9-7(5-8)3-4-14-9/h1-5,10-17H,6H2/t10-,11+,12-,13?/m1/s1
InChIKeyUIQLPLCXMOSWNM-DAAZQVBGSA-N
XLogP-0.01
TPSA94.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol
CID 67790124
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542
(2S,3R,4R,5S,6S)-2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6572881
(2R,3R,4R,5S,6S)-2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7078524
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
(3R,4S,5S,6R)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90014619
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(2S,4S,5S)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71182083
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-hydroxyphenoxy)oxolane-3,4-diol
CID 54430133

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol (CID 54355225) is (2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol is OC[C@H]1OC(Oc2ccc3[nH]ccc3c2)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol?
The InChIKey is UIQLPLCXMOSWNM-DAAZQVBGSA-N. The full InChI is InChI=1S/C13H15NO5/c15-6-10-11(16)12(17)13(19-10)18-8-1-2-9-7(5-8)3-4-14-9/h1-5,10-17H,6H2/t10-,11+,12-,13?/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol?
(2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol has a molecular weight of 265.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-5-(1H-indol-5-yloxy)oxolane-3,4-diol is sourced from PubChem (CID 54355225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).