(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol

C14H26O6 — CID 42627501

IUPAC(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol
SMILESC=CCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H26O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h2,10-18H,1,3-9H2/t10-,11+,12-,13+,14-/m1/s1
InChIKeyOKEDUYWBXGTJSM-XHJNMGKDSA-N
MW290.36 g/mol
LogP-0.06
Rot. Bonds9

About (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol

(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol (PubChem CID 42627501) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol
PubChem CID42627501
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol
SMILESC=CCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H26O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h2,10-18H,1,3-9H2/t10-,11+,12-,13+,14-/m1/s1
InChIKeyOKEDUYWBXGTJSM-XHJNMGKDSA-N
XLogP-0.06
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol (CID 42627501) is (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol is C=CCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol?
The InChIKey is OKEDUYWBXGTJSM-XHJNMGKDSA-N. The full InChI is InChI=1S/C14H26O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h2,10-18H,1,3-9H2/t10-,11+,12-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol?
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol has a molecular weight of 290.36 g/mol, XLogP of -0.06, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-oct-7-enoxyoxane-3,4,5-triol is sourced from PubChem (CID 42627501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).