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

C9H18O6 — CID 129082603

IUPAC6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol
SMILESCC(C)(O)C1C(CO)OC(O)C(O)C1O
InChIInChI=1S/C9H18O6/c1-9(2,14)5-4(3-10)15-8(13)7(12)6(5)11/h4-8,10-14H,3H2,1-2H3
InChIKeyWGUOHKSHZZHUFF-UHFFFAOYSA-N
MW222.24 g/mol
LogP-2.20
Rot. Bonds2

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

6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol (PubChem CID 129082603) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol
PubChem CID129082603
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol
SMILESCC(C)(O)C1C(CO)OC(O)C(O)C1O
InChIInChI=1S/C9H18O6/c1-9(2,14)5-4(3-10)15-8(13)7(12)6(5)11/h4-8,10-14H,3H2,1-2H3
InChIKeyWGUOHKSHZZHUFF-UHFFFAOYSA-N
XLogP-2.20
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol
CID 131967102
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol?
The IUPAC name of 6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol (CID 129082603) is 6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol.
What is the SMILES notation for 6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol?
The canonical SMILES for 6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol is CC(C)(O)C1C(CO)OC(O)C(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol?
The InChIKey is WGUOHKSHZZHUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O6/c1-9(2,14)5-4(3-10)15-8(13)7(12)6(5)11/h4-8,10-14H,3H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol?
6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol has a molecular weight of 222.24 g/mol, XLogP of -2.20, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol is sourced from PubChem (CID 129082603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).