(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol

C17H34O5 — CID 102481563

IUPAC(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
SMILESCCCCCCCCCCCO[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C17H34O5/c1-2-3-4-5-6-7-8-9-10-11-21-16-12-14(19)17(20)15(13-18)22-16/h14-20H,2-13H2,1H3/t14-,15-,16+,17+/m1/s1
InChIKeyWKDSLOSVWQMLEP-NCOADZHNSA-N
MW318.45 g/mol
LogP2.36
Rot. Bonds12

About (2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol

(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol (PubChem CID 102481563) has the molecular formula C17H34O5 and a molecular weight of 318.45 g/mol. Its IUPAC name is (2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
PubChem CID102481563
Molecular FormulaC17H34O5
Molecular Weight318.45 g/mol
Exact Mass318.24
IUPAC Name(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
SMILESCCCCCCCCCCCO[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C17H34O5/c1-2-3-4-5-6-7-8-9-10-11-21-16-12-14(19)17(20)15(13-18)22-16/h14-20H,2-13H2,1H3/t14-,15-,16+,17+/m1/s1
InChIKeyWKDSLOSVWQMLEP-NCOADZHNSA-N
XLogP2.36
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(2R,3S,4S,5S,6S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol
CID 102216909
6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 123961966
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol
CID 121434694
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-undecoxyoxane-2,3,5-triol
CID 13365350
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
CID 178052000
5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
CID 172627567
(2R,3R,4S,5R,6R)-4-dodecoxy-2-(hydroxymethyl)-5,6-dioctoxyoxan-3-ol
CID 101366680
(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-tetradecoxyoxan-2-olate
CID 22209772
sodium (2S,3R,4S,5R,6R)-3-decoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate
CID 70170934

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol (CID 102481563) is (2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol is CCCCCCCCCCCO[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol?
The InChIKey is WKDSLOSVWQMLEP-NCOADZHNSA-N. The full InChI is InChI=1S/C17H34O5/c1-2-3-4-5-6-7-8-9-10-11-21-16-12-14(19)17(20)15(13-18)22-16/h14-20H,2-13H2,1H3/t14-,15-,16+,17+/m1/s1.
What are the key properties of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol?
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol has a molecular weight of 318.45 g/mol, XLogP of 2.36, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol is sourced from PubChem (CID 102481563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).