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

C11H20O7 — CID 76584047

IUPAC2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol
SMILESC=CCOCCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C11H20O7/c1-2-3-16-4-5-17-11-10(15)9(14)8(13)7(6-12)18-11/h2,7-15H,1,3-6H2
InChIKeyIWWBEBUEFKNEGW-UHFFFAOYSA-N
MW264.27 g/mol
LogP-1.99
Rot. Bonds7

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

2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol (PubChem CID 76584047) has the molecular formula C11H20O7 and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol
PubChem CID76584047
Molecular FormulaC11H20O7
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol
SMILESC=CCOCCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C11H20O7/c1-2-3-16-4-5-17-11-10(15)9(14)8(13)7(6-12)18-11/h2,7-15H,1,3-6H2
InChIKeyIWWBEBUEFKNEGW-UHFFFAOYSA-N
XLogP-1.99
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
(2R,3R,4R)-2-(hydroxymethyl)-5-prop-2-enoxyoxolane-3,4-diol
CID 66709788
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-prop-2-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101264112
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-prop-2-enoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101264111
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(2-propoxyethoxy)ethoxy]oxane-3,4,5-triol
CID 169209714
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(2-propoxyethoxy)oxane-3,4,5-triol
CID 118887899
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67157179
(3R,4S,5S,6R)-2-(2-hydroxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 18602519
(2S,3S,4S,5S,6R)-2-(2-hydroxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 137348722
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56683097
actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59087720
(3S,4R,5S,6S)-2-(2-hydroxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol;hydroiodide
CID 174743450

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol (CID 76584047) is 2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol is C=CCOCCOC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol?
The InChIKey is IWWBEBUEFKNEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O7/c1-2-3-16-4-5-17-11-10(15)9(14)8(13)7(6-12)18-11/h2,7-15H,1,3-6H2.
What are the key properties of 2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol?
2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol has a molecular weight of 264.27 g/mol, XLogP of -1.99, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 76584047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).