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

C9H18O6 — CID 59760904

IUPAC2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol
SMILESOCCCC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C9H18O6/c10-3-1-2-5-7(12)9(14)8(13)6(4-11)15-5/h5-14H,1-4H2
InChIKeyOEJBBTFZQJKJRE-UHFFFAOYSA-N
MW222.24 g/mol
LogP-2.40
Rot. Bonds4

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

2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol (PubChem CID 59760904) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol
PubChem CID59760904
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol
SMILESOCCCC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C9H18O6/c10-3-1-2-5-7(12)9(14)8(13)6(4-11)15-5/h5-14H,1-4H2
InChIKeyOEJBBTFZQJKJRE-UHFFFAOYSA-N
XLogP-2.40
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5S,6R)-2-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102470688
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(3R,4R)-2-(hydroxymethyl)-6-tridecyloxane-3,4,5-triol
CID 158921249
2-heptadecyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 73150554
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-octyloxane-3,4,5-triol
CID 91217926
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;propane-1,3-diol
CID 141001147
6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 85179577
(2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66883765

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol (CID 59760904) is 2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol is OCCCC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol?
The InChIKey is OEJBBTFZQJKJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O6/c10-3-1-2-5-7(12)9(14)8(13)6(4-11)15-5/h5-14H,1-4H2.
What are the key properties of 2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol?
2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol has a molecular weight of 222.24 g/mol, XLogP of -2.40, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol is sourced from PubChem (CID 59760904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).