(2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol

C15H32O4S — CID 175685092

IUPAC(2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol
SMILESCCCCCCCCCCSC[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C15H32O4S/c1-2-3-4-5-6-7-8-9-10-20-12-14(18)15(19)13(17)11-16/h13-19H,2-12H2,1H3/t13-,14-,15+/m0/s1
InChIKeyHNRZVFWASHMFMR-SOUVJXGZSA-N
MW308.48 g/mol
LogP1.94
Rot. Bonds14

About (2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol

(2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol (PubChem CID 175685092) has the molecular formula C15H32O4S and a molecular weight of 308.48 g/mol. Its IUPAC name is (2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol
PubChem CID175685092
Molecular FormulaC15H32O4S
Molecular Weight308.48 g/mol
Exact Mass308.20
IUPAC Name(2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol
SMILESCCCCCCCCCCSC[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C15H32O4S/c1-2-3-4-5-6-7-8-9-10-20-12-14(18)15(19)13(17)11-16/h13-19H,2-12H2,1H3/t13-,14-,15+/m0/s1
InChIKeyHNRZVFWASHMFMR-SOUVJXGZSA-N
XLogP1.94
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R)-6-octylsulfanylhexane-1,2,3,4,5-pentol
CID 131846529
(2R,3S,4S,5R)-6-nonylsulfanylhexane-1,2,3,4,5-pentol
CID 22212789
(2S,3S,4S,5S)-1,6-bis(octylsulfanyl)hexane-2,3,4,5-tetrol
CID 11123044
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
3-dodecylsulfanyl-2-methylpropan-1-ol
CID 66103592
octanoic acid;(2R,4S)-pentane-1,2,3,4,5-pentol
CID 86758342
(2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol
CID 142755601
hexane-1,2,3,4,5,6-hexol;octacosan-1-ol
CID 174529828
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
2-ethoxy-3-hexadecylsulfanylpropan-1-ol
CID 14282492
4-pentyldodecane-1,2,3-triol
CID 175047891
2-hydroxyethyl-(2-hydroxy-3-octadecylsulfanylpropyl)-dimethylazanium
CID 54542413

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol?
The IUPAC name of (2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol (CID 175685092) is (2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol is CCCCCCCCCCSC[C@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol?
The InChIKey is HNRZVFWASHMFMR-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H32O4S/c1-2-3-4-5-6-7-8-9-10-20-12-14(18)15(19)13(17)11-16/h13-19H,2-12H2,1H3/t13-,14-,15+/m0/s1.
What are the key properties of (2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol?
(2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol has a molecular weight of 308.48 g/mol, XLogP of 1.94, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol is sourced from PubChem (CID 175685092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).