(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol

C17H32O6 — CID 154584306

IUPAC(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol
SMILESC=CCCCCCCCCCO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C17H32O6/c1-2-3-4-5-6-7-8-9-10-11-22-16-14(19)13(12-18)23-17(21)15(16)20/h2,13-21H,1,3-12H2/t13-,14-,15-,16+,17+/m1/s1
InChIKeyYZRNUMHABGDGTN-MTSZKFMLSA-N
MW332.44 g/mol
LogP1.11
Rot. Bonds12

About (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol

(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol (PubChem CID 154584306) has the molecular formula C17H32O6 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol
PubChem CID154584306
Molecular FormulaC17H32O6
Molecular Weight332.44 g/mol
Exact Mass332.22
IUPAC Name(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol
SMILESC=CCCCCCCCCCO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C17H32O6/c1-2-3-4-5-6-7-8-9-10-11-22-16-14(19)13(12-18)23-17(21)15(16)20/h2,13-21H,1,3-12H2/t13-,14-,15-,16+,17+/m1/s1
InChIKeyYZRNUMHABGDGTN-MTSZKFMLSA-N
XLogP1.11
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.11
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 (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol?
The IUPAC name of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol (CID 154584306) is (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol?
The canonical SMILES for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol is C=CCCCCCCCCCO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol?
The InChIKey is YZRNUMHABGDGTN-MTSZKFMLSA-N. The full InChI is InChI=1S/C17H32O6/c1-2-3-4-5-6-7-8-9-10-11-22-16-14(19)13(12-18)23-17(21)15(16)20/h2,13-21H,1,3-12H2/t13-,14-,15-,16+,17+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol?
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol has a molecular weight of 332.44 g/mol, XLogP of 1.11, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxyoxane-2,3,5-triol is sourced from PubChem (CID 154584306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).