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

C9H16O5 — CID 14259408

IUPAC2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
SMILESC=CCC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C9H16O5/c1-2-3-5-7(11)9(13)8(12)6(4-10)14-5/h2,5-13H,1,3-4H2
InChIKeyJDPNGXUXFIFPNG-UHFFFAOYSA-N
MW204.22 g/mol
LogP-1.60
Rot. Bonds3

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

2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol (PubChem CID 14259408) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
PubChem CID14259408
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
SMILESC=CCC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C9H16O5/c1-2-3-5-7(11)9(13)8(12)6(4-10)14-5/h2,5-13H,1,3-4H2
InChIKeyJDPNGXUXFIFPNG-UHFFFAOYSA-N
XLogP-1.60
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 162127183
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
[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl] acetate
CID 90368674
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
prop-2-enyl-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium
CID 6593882
prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium
CID 7434654
(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

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol (CID 14259408) is 2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol is C=CCC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol?
The InChIKey is JDPNGXUXFIFPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-2-3-5-7(11)9(13)8(12)6(4-10)14-5/h2,5-13H,1,3-4H2.
What are the key properties of 2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol?
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol has a molecular weight of 204.22 g/mol, XLogP of -1.60, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol is sourced from PubChem (CID 14259408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).