2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol

C17H24O8 — CID 69086660

IUPAC2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol
SMILESCOc1cc(CCCO)cc(OC)c1OC1=CC(O)C(O)C(CO)O1
InChIInChI=1S/C17H24O8/c1-22-12-6-10(4-3-5-18)7-13(23-2)17(12)25-15-8-11(20)16(21)14(9-19)24-15/h6-8,11,14,16,18-21H,3-5,9H2,1-2H3
InChIKeyOHZFGPPSCYISEY-UHFFFAOYSA-N
MW356.37 g/mol
LogP-0.04
Rot. Bonds8

About 2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol

2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 69086660) has the molecular formula C17H24O8 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID69086660
Molecular FormulaC17H24O8
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Name2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol
SMILESCOc1cc(CCCO)cc(OC)c1OC1=CC(O)C(O)C(CO)O1
InChIInChI=1S/C17H24O8/c1-22-12-6-10(4-3-5-18)7-13(23-2)17(12)25-15-8-11(20)16(21)14(9-19)24-15/h6-8,11,14,16,18-21H,3-5,9H2,1-2H3
InChIKeyOHZFGPPSCYISEY-UHFFFAOYSA-N
XLogP-0.04
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
CID 101236906
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
CID 162906337
2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
CID 11652150
(2S,3R,4S,5S,6R)-2-[4-[(1S,2R)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162944317
(2R,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102262566
4-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]cyclohex-3-ene-1,2-diol
CID 75215909
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(3,4,5-trimethoxyphenyl)methyl]oxane-3,4,5-triol
CID 141165728
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[5-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
CID 162865328
2-[[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162867621
N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 101118553
(2S,3S,4R,5R,6S)-2-[[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162961461
(2R,3R,4S,5S,6R)-2-[[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10098244

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol (CID 69086660) is 2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol is COc1cc(CCCO)cc(OC)c1OC1=CC(O)C(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is OHZFGPPSCYISEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O8/c1-22-12-6-10(4-3-5-18)7-13(23-2)17(12)25-15-8-11(20)16(21)14(9-19)24-15/h6-8,11,14,16,18-21H,3-5,9H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol?
2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 356.37 g/mol, XLogP of -0.04, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 69086660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).