2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol

C12H16O7 — CID 346

IUPAC2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
SMILESOCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O
InChIInChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2
InChIKeyBJRNKVDFDLYUGJ-UHFFFAOYSA-N
MW272.25 g/mol
LogP-1.43
Rot. Bonds3

About 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol

2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol (PubChem CID 346) has the molecular formula C12H16O7 and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
PubChem CID346
Molecular FormulaC12H16O7
Molecular Weight272.25 g/mol
Exact Mass272.09
IUPAC Name2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
SMILESOCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O
InChIInChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2
InChIKeyBJRNKVDFDLYUGJ-UHFFFAOYSA-N
XLogP-1.43
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

Arbutin
CID 440936
Salicin
CID 439503
phenyl beta-D-glucopyranoside
CID 65080
Gastrodin
CID 115067
Alpha-Arbutin
CID 158637
Orcinol Glucoside
CID 12315192
beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl
CID 5145
Robustaside D
CID 38358972
beta-D-Glucopyranoside, 4-methylphenyl
CID 88447
Icariside D2
CID 10614148
4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside
CID 57339134
4-(2-PROPENYL)PHENYL-beta-D-GLUCOPYRANOSIDE
CID 44390556

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol (CID 346) is 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol is OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol?
The InChIKey is BJRNKVDFDLYUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2.
What are the key properties of 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol?
2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol has a molecular weight of 272.25 g/mol, XLogP of -1.43, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol is sourced from PubChem (CID 346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).