(2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol

C14H28O4S — CID 25022417

IUPAC(2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol
SMILESCCCCCCCCSC[C@H]1O[C@@H](OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H28O4S/c1-3-4-5-6-7-8-9-19-10-11-12(15)13(16)14(17-2)18-11/h11-16H,3-10H2,1-2H3/t11-,12-,13+,14-/m1/s1
InChIKeyGUVPWBJUUSVHNN-YIYPIFLZSA-N
MW292.44 g/mol
LogP2.17
Rot. Bonds10

About (2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol

(2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol (PubChem CID 25022417) has the molecular formula C14H28O4S and a molecular weight of 292.44 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol
PubChem CID25022417
Molecular FormulaC14H28O4S
Molecular Weight292.44 g/mol
Exact Mass292.17
IUPAC Name(2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol
SMILESCCCCCCCCSC[C@H]1O[C@@H](OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H28O4S/c1-3-4-5-6-7-8-9-19-10-11-12(15)13(16)14(17-2)18-11/h11-16H,3-10H2,1-2H3/t11-,12-,13+,14-/m1/s1
InChIKeyGUVPWBJUUSVHNN-YIYPIFLZSA-N
XLogP2.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol (CID 25022417) is (2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol is CCCCCCCCSC[C@H]1O[C@@H](OC)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol?
The InChIKey is GUVPWBJUUSVHNN-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H28O4S/c1-3-4-5-6-7-8-9-19-10-11-12(15)13(16)14(17-2)18-11/h11-16H,3-10H2,1-2H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol?
(2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol has a molecular weight of 292.44 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol is sourced from PubChem (CID 25022417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).