(2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol

C5H10O6 — CID 129307305

IUPAC(2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol
SMILESOCC1O[C@@H](O)C(O)O[C@@H]1O
InChIInChI=1S/C5H10O6/c6-1-2-3(7)11-5(9)4(8)10-2/h2-9H,1H2/t2?,3-,4+,5?/m0/s1
InChIKeyMRUPZIDJEFHVHM-KGIDARAMSA-N
MW166.13 g/mol
LogP-2.65
Rot. Bonds1

About (2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol

(2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol (PubChem CID 129307305) has the molecular formula C5H10O6 and a molecular weight of 166.13 g/mol. Its IUPAC name is (2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol.

Molecular Properties

Compound Name(2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol
PubChem CID129307305
Molecular FormulaC5H10O6
Molecular Weight166.13 g/mol
Exact Mass166.05
IUPAC Name(2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol
SMILESOCC1O[C@@H](O)C(O)O[C@@H]1O
InChIInChI=1S/C5H10O6/c6-1-2-3(7)11-5(9)4(8)10-2/h2-9H,1H2/t2?,3-,4+,5?/m0/s1
InChIKeyMRUPZIDJEFHVHM-KGIDARAMSA-N
XLogP-2.65
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-2.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(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
6-(aminomethyl)-3-(hydroxymethyl)-5-sulfanyl-1,4-dioxan-2-ol
CID 142620391
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol?
The IUPAC name of (2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol (CID 129307305) is (2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol.
What is the SMILES notation for (2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol?
The canonical SMILES for (2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol is OCC1O[C@@H](O)C(O)O[C@@H]1O.
What is the InChIKey of (2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol?
The InChIKey is MRUPZIDJEFHVHM-KGIDARAMSA-N. The full InChI is InChI=1S/C5H10O6/c6-1-2-3(7)11-5(9)4(8)10-2/h2-9H,1H2/t2?,3-,4+,5?/m0/s1.
What are the key properties of (2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol?
(2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol has a molecular weight of 166.13 g/mol, XLogP of -2.65, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol is sourced from PubChem (CID 129307305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).