(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol

C14H17NO6 — CID 173129842

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](On2ccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H17NO6/c16-7-10-11(17)12(18)13(19)14(20-10)21-15-6-5-8-3-1-2-4-9(8)15/h1-6,10-14,16-19H,7H2/t10-,11-,12+,13-,14+/m1/s1
InChIKeyYHMPTAAOOIERMM-RGDJUOJXSA-N
MW295.29 g/mol
LogP-1.13
Rot. Bonds3

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol (PubChem CID 173129842) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol
PubChem CID173129842
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](On2ccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H17NO6/c16-7-10-11(17)12(18)13(19)14(20-10)21-15-6-5-8-3-1-2-4-9(8)15/h1-6,10-14,16-19H,7H2/t10-,11-,12+,13-,14+/m1/s1
InChIKeyYHMPTAAOOIERMM-RGDJUOJXSA-N
XLogP-1.13
TPSA104.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol
CID 20631341
2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67777099
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenothiazin-10-yloxyoxane-3,4,5-triol
CID 100991641
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
2-(hydroxymethyl)-6-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 19078670
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-oxopyrimidin-4-yl]benzamide
CID 90805513
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol (CID 173129842) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol is OC[C@H]1O[C@@H](On2ccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol?
The InChIKey is YHMPTAAOOIERMM-RGDJUOJXSA-N. The full InChI is InChI=1S/C14H17NO6/c16-7-10-11(17)12(18)13(19)14(20-10)21-15-6-5-8-3-1-2-4-9(8)15/h1-6,10-14,16-19H,7H2/t10-,11-,12+,13-,14+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol has a molecular weight of 295.29 g/mol, XLogP of -1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol is sourced from PubChem (CID 173129842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).