(2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol

C14H27FO5 — CID 11687942

IUPAC(2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol
SMILESCCCCCCCCO[C@@H]1O[C@@H]([C@H](O)CF)[C@H](O)[C@H]1O
InChIInChI=1S/C14H27FO5/c1-2-3-4-5-6-7-8-19-14-12(18)11(17)13(20-14)10(16)9-15/h10-14,16-18H,2-9H2,1H3/t10-,11-,12-,13+,14-/m1/s1
InChIKeyYJRNRWDYDVAKER-XGFWRYKXSA-N
MW294.36 g/mol
LogP1.14
Rot. Bonds10

About (2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol

(2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol (PubChem CID 11687942) has the molecular formula C14H27FO5 and a molecular weight of 294.36 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol
PubChem CID11687942
Molecular FormulaC14H27FO5
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name(2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol
SMILESCCCCCCCCO[C@@H]1O[C@@H]([C@H](O)CF)[C@H](O)[C@H]1O
InChIInChI=1S/C14H27FO5/c1-2-3-4-5-6-7-8-19-14-12(18)11(17)13(20-14)10(16)9-15/h10-14,16-18H,2-9H2,1H3/t10-,11-,12-,13+,14-/m1/s1
InChIKeyYJRNRWDYDVAKER-XGFWRYKXSA-N
XLogP1.14
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.14
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

(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484
(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988485
(2R,3R,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-dodecoxyoxolane-3,4-diol
CID 11382473
sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride
CID 173338676
(2S,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(2S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 10004100
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[(1R)-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 102407270
(2S)-2-[(2R,3R,4R,5S)-5-decoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 57306370
(2S)-2-[(2S,3R,4R,5R)-5-dodecoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 10882980
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
(3S,4R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
CID 24802436
(2S,3R,4S,5R,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11854119

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol (CID 11687942) is (2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol is CCCCCCCCO[C@@H]1O[C@@H]([C@H](O)CF)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol?
The InChIKey is YJRNRWDYDVAKER-XGFWRYKXSA-N. The full InChI is InChI=1S/C14H27FO5/c1-2-3-4-5-6-7-8-19-14-12(18)11(17)13(20-14)10(16)9-15/h10-14,16-18H,2-9H2,1H3/t10-,11-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol?
(2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol has a molecular weight of 294.36 g/mol, XLogP of 1.14, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol is sourced from PubChem (CID 11687942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).