2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol

C16H32O5S — CID 559119

IUPAC2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol
SMILESCCCCCCCCCCSC1OC(C(O)CO)C(O)C1O
InChIInChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-22-16-14(20)13(19)15(21-16)12(18)11-17/h12-20H,2-11H2,1H3
InChIKeyYXNPOIOHXSYBBW-UHFFFAOYSA-N
MW336.49 g/mol
LogP1.66
Rot. Bonds12

About 2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol

2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol (PubChem CID 559119) has the molecular formula C16H32O5S and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol
PubChem CID559119
Molecular FormulaC16H32O5S
Molecular Weight336.49 g/mol
Exact Mass336.20
IUPAC Name2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol
SMILESCCCCCCCCCCSC1OC(C(O)CO)C(O)C1O
InChIInChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-22-16-14(20)13(19)15(21-16)12(18)11-17/h12-20H,2-11H2,1H3
InChIKeyYXNPOIOHXSYBBW-UHFFFAOYSA-N
XLogP1.66
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol
CID 134975195
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-octylsulfanyloxolane-3,4-diol
CID 91696361
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-nonylsulfanyloxane-3,4,5-triol
CID 125463194
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octadecylsulfanyloxane-3,4,5-triol
CID 10623374
(3R,4S,5S,6R)-2-decylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67114130
(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
(2R,3R,4S,5R)-2-dodecylsulfanyloxane-3,4,5-triol
CID 70544677
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243

Frequently Asked Questions

What is the IUPAC name of 2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol?
The IUPAC name of 2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol (CID 559119) is 2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol?
The canonical SMILES for 2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol is CCCCCCCCCCSC1OC(C(O)CO)C(O)C1O.
What is the InChIKey of 2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol?
The InChIKey is YXNPOIOHXSYBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-22-16-14(20)13(19)15(21-16)12(18)11-17/h12-20H,2-11H2,1H3.
What are the key properties of 2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol?
2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol has a molecular weight of 336.49 g/mol, XLogP of 1.66, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylsulfanyl-5-(1,2-dihydroxyethyl)oxolane-3,4-diol is sourced from PubChem (CID 559119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).