(2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol

C10H19FO3S — CID 67465198

IUPAC(2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol
SMILESCCCCC[C@]1(O)S[C@@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C10H19FO3S/c1-2-3-4-5-10(14)9(11)8(13)7(6-12)15-10/h7-9,12-14H,2-6H2,1H3/t7-,8+,9+,10-/m0/s1
InChIKeyXYPJXWCVFVADKB-JLIMGVALSA-N
MW238.32 g/mol
LogP1.06
Rot. Bonds5

About (2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol

(2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol (PubChem CID 67465198) has the molecular formula C10H19FO3S and a molecular weight of 238.32 g/mol. Its IUPAC name is (2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol
PubChem CID67465198
Molecular FormulaC10H19FO3S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC Name(2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol
SMILESCCCCC[C@]1(O)S[C@@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C10H19FO3S/c1-2-3-4-5-10(14)9(11)8(13)7(6-12)15-10/h7-9,12-14H,2-6H2,1H3/t7-,8+,9+,10-/m0/s1
InChIKeyXYPJXWCVFVADKB-JLIMGVALSA-N
XLogP1.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol?
The IUPAC name of (2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol (CID 67465198) is (2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol.
What is the SMILES notation for (2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol?
The canonical SMILES for (2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol is CCCCC[C@]1(O)S[C@@H](CO)[C@@H](O)[C@H]1F.
What is the InChIKey of (2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol?
The InChIKey is XYPJXWCVFVADKB-JLIMGVALSA-N. The full InChI is InChI=1S/C10H19FO3S/c1-2-3-4-5-10(14)9(11)8(13)7(6-12)15-10/h7-9,12-14H,2-6H2,1H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol?
(2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol has a molecular weight of 238.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol is sourced from PubChem (CID 67465198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).