(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol

C15H28O5 — CID 135045692

IUPAC(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol
SMILESCCCCCCCC/C=C1\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H28O5/c1-2-3-4-5-6-7-8-9-11-13(17)15(19)14(18)12(10-16)20-11/h9,12-19H,2-8,10H2,1H3/b11-9-/t12-,13+,14-,15-/m1/s1
InChIKeyHHAHCGMOIOSUMU-SADDAGTRSA-N
MW288.38 g/mol
LogP1.09
Rot. Bonds8

About (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol

(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol (PubChem CID 135045692) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol
PubChem CID135045692
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol
SMILESCCCCCCCC/C=C1\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H28O5/c1-2-3-4-5-6-7-8-9-11-13(17)15(19)14(18)12(10-16)20-11/h9,12-19H,2-8,10H2,1H3/b11-9-/t12-,13+,14-,15-/m1/s1
InChIKeyHHAHCGMOIOSUMU-SADDAGTRSA-N
XLogP1.09
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol (CID 135045692) is (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol is CCCCCCCC/C=C1\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol?
The InChIKey is HHAHCGMOIOSUMU-SADDAGTRSA-N. The full InChI is InChI=1S/C15H28O5/c1-2-3-4-5-6-7-8-9-11-13(17)15(19)14(18)12(10-16)20-11/h9,12-19H,2-8,10H2,1H3/b11-9-/t12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol?
(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol has a molecular weight of 288.38 g/mol, XLogP of 1.09, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol is sourced from PubChem (CID 135045692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).