(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol

C24H48O6 — CID 126476615

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol
SMILESCCCCCCCCC(CCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H48O6/c1-3-5-7-9-11-13-15-19(16-14-12-10-8-6-4-2)18-29-24-23(28)22(27)21(26)20(17-25)30-24/h19-28H,3-18H2,1-2H3/t20-,21-,22+,23-,24-/m1/s1
InChIKeyUFVDTFGZVCQFCL-GNADVCDUSA-N
MW432.64 g/mol
LogP3.92
Rot. Bonds18

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol (PubChem CID 126476615) has the molecular formula C24H48O6 and a molecular weight of 432.64 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol
PubChem CID126476615
Molecular FormulaC24H48O6
Molecular Weight432.64 g/mol
Exact Mass432.35
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol
SMILESCCCCCCCCC(CCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H48O6/c1-3-5-7-9-11-13-15-19(16-14-12-10-8-6-4-2)18-29-24-23(28)22(27)21(26)20(17-25)30-24/h19-28H,3-18H2,1-2H3/t20-,21-,22+,23-,24-/m1/s1
InChIKeyUFVDTFGZVCQFCL-GNADVCDUSA-N
XLogP3.92
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol with MolForge

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Related Compounds

octyl beta-D-glucopyranoside
CID 62852
Decyl Glucoside
CID 62142
dodecyl beta-D-maltoside
CID 114880
Myristyl Glucoside
CID 10126394
Lauryl Glucoside
CID 10893439
2-Ethylhexyl alpha-D-glucopyranoside
CID 24848590
Octyl glucopyranoside
CID 62080
Nonyl beta-D-glucopyranoside
CID 155448
Octyl Beta-D-Galactopyranoside
CID 9549264
Cyclohexyl-Hexyl-Beta-D-Maltoside
CID 447688
Undecyl Glucoside
CID 113495
Arachidyl Glucoside
CID 9933984

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol (CID 126476615) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol is CCCCCCCCC(CCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol?
The InChIKey is UFVDTFGZVCQFCL-GNADVCDUSA-N. The full InChI is InChI=1S/C24H48O6/c1-3-5-7-9-11-13-15-19(16-14-12-10-8-6-4-2)18-29-24-23(28)22(27)21(26)20(17-25)30-24/h19-28H,3-18H2,1-2H3/t20-,21-,22+,23-,24-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol has a molecular weight of 432.64 g/mol, XLogP of 3.92, 18 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol is sourced from PubChem (CID 126476615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).