(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol

C15H19NO6 — CID 86279794

IUPAC(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol
SMILESCc1cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c2[nH]1
InChIInChI=1S/C15H19NO6/c1-7-5-8-3-2-4-9(11(8)16-7)21-15-14(20)13(19)12(18)10(6-17)22-15/h2-5,10,12-20H,6H2,1H3/t10-,12-,13+,14+,15-/m1/s1
InChIKeyCKYJKYQFSVUFLA-JSFFLRCESA-N
MW309.32 g/mol
LogP-0.34
Rot. Bonds3

About (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol (PubChem CID 86279794) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol
PubChem CID86279794
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol
SMILESCc1cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c2[nH]1
InChIInChI=1S/C15H19NO6/c1-7-5-8-3-2-4-9(11(8)16-7)21-15-14(20)13(19)12(18)10(6-17)22-15/h2-5,10,12-20H,6H2,1H3/t10-,12-,13+,14+,15-/m1/s1
InChIKeyCKYJKYQFSVUFLA-JSFFLRCESA-N
XLogP-0.34
TPSA115.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(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
2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
2-(3,8-dimethylnaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 22297221
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
2-(hydroxymethyl)-6-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 19078670
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(2-methyl-3-phenylphenoxy)oxane-3,4,5-triol
CID 68767837
4-oxo-8-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinoline-2-carboxylic acid
CID 53481609
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-pyren-1-yloxyoxane-3,4,5-triol
CID 123804366
(3S,4S,5S,6R)-2-(2-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 68735810

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol (CID 86279794) is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol is Cc1cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c2[nH]1.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol?
The InChIKey is CKYJKYQFSVUFLA-JSFFLRCESA-N. The full InChI is InChI=1S/C15H19NO6/c1-7-5-8-3-2-4-9(11(8)16-7)21-15-14(20)13(19)12(18)10(6-17)22-15/h2-5,10,12-20H,6H2,1H3/t10-,12-,13+,14+,15-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol has a molecular weight of 309.32 g/mol, XLogP of -0.34, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-7-yl)oxy]oxane-3,4,5-triol is sourced from PubChem (CID 86279794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).