2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol

C14H17NO6 — CID 18938731

IUPAC2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol
SMILESOCC1OC(Oc2cc3ccccc3[nH]2)C(O)C(O)C1O
InChIInChI=1S/C14H17NO6/c16-6-9-11(17)12(18)13(19)14(20-9)21-10-5-7-3-1-2-4-8(7)15-10/h1-5,9,11-19H,6H2
InChIKeyKIZIXIPDFWBRIW-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.65
Rot. Bonds3

About 2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol

2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol (PubChem CID 18938731) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol
PubChem CID18938731
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol
SMILESOCC1OC(Oc2cc3ccccc3[nH]2)C(O)C(O)C1O
InChIInChI=1S/C14H17NO6/c16-6-9-11(17)12(18)13(19)14(20-9)21-10-5-7-3-1-2-4-8(7)15-10/h1-5,9,11-19H,6H2
InChIKeyKIZIXIPDFWBRIW-UHFFFAOYSA-N
XLogP-0.65
TPSA115.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol (CID 18938731) is 2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol is OCC1OC(Oc2cc3ccccc3[nH]2)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol?
The InChIKey is KIZIXIPDFWBRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c16-6-9-11(17)12(18)13(19)14(20-9)21-10-5-7-3-1-2-4-8(7)15-10/h1-5,9,11-19H,6H2.
What are the key properties of 2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol?
2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol has a molecular weight of 295.29 g/mol, XLogP of -0.65, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol is sourced from PubChem (CID 18938731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).