(5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol

C16H32O6 — CID 70889384

IUPAC(5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCCCCCC(C)OC1OC(CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C16H32O6/c1-3-4-5-6-7-8-9-11(2)21-16-15(20)14(19)13(18)12(10-17)22-16/h11-20H,3-10H2,1-2H3/t11?,12?,13-,14?,15?,16?/m1/s1
InChIKeyNZGZLAJIQOCLBS-UNFKKNOASA-N
MW320.43 g/mol
LogP0.94
Rot. Bonds10

About (5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol

(5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 70889384) has the molecular formula C16H32O6 and a molecular weight of 320.43 g/mol. Its IUPAC name is (5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID70889384
Molecular FormulaC16H32O6
Molecular Weight320.43 g/mol
Exact Mass320.22
IUPAC Name(5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCCCCCC(C)OC1OC(CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C16H32O6/c1-3-4-5-6-7-8-9-11(2)21-16-15(20)14(19)13(18)12(10-17)22-16/h11-20H,3-10H2,1-2H3/t11?,12?,13-,14?,15?,16?/m1/s1
InChIKeyNZGZLAJIQOCLBS-UNFKKNOASA-N
XLogP0.94
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-nonan-2-yloxyoxane-3,4,5-triol
CID 20813434
(3R,4S,5S,6R)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 54138308
(2R,5S)-2-[(3S,6R)-6-[(2R)-dodecan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70889378
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2S)-dodecan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46191465
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-octadecan-8-yloxyoxane-3,4,5-triol
CID 22843670
(2R,3R,4S,5S,6R)-2-decan-5-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175684637
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(E)-octadec-9-en-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89476011
(3S,6R)-2-(hydroxymethyl)-6-octan-3-yloxyoxane-3,4,5-triol
CID 70889334
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(3R)-octan-3-yl]oxyoxane-3,4,5-triol
CID 99129955
(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163679264
(2R,3R,5S)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163580885
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-nonan-5-yloxyoxane-3,4,5-triol
CID 101379975

Frequently Asked Questions

What is the IUPAC name of (5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 70889384) is (5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol is CCCCCCCCC(C)OC1OC(CO)[C@@H](O)C(O)C1O.
What is the InChIKey of (5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is NZGZLAJIQOCLBS-UNFKKNOASA-N. The full InChI is InChI=1S/C16H32O6/c1-3-4-5-6-7-8-9-11(2)21-16-15(20)14(19)13(18)12(10-17)22-16/h11-20H,3-10H2,1-2H3/t11?,12?,13-,14?,15?,16?/m1/s1.
What are the key properties of (5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 320.43 g/mol, XLogP of 0.94, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 70889384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).