(2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol

C7H14O4S — CID 44588421

IUPAC(2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol
SMILESCCS[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O4S/c1-2-12-7-6(10)5(9)4(8)3-11-7/h4-10H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1
InChIKeyINHTVDLGULFITI-UCROKIRRSA-N
MW194.25 g/mol
LogP-0.82
Rot. Bonds2

About (2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol

(2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol (PubChem CID 44588421) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol
PubChem CID44588421
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name(2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol
SMILESCCS[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O4S/c1-2-12-7-6(10)5(9)4(8)3-11-7/h4-10H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1
InChIKeyINHTVDLGULFITI-UCROKIRRSA-N
XLogP-0.82
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

isopropyl beta-D-thiogalactopyranoside
CID 656894
Ethyl 1-thio-D-galactopyranoside
CID 10466198
Methyl 1-thio-beta-D-galactopyranoside
CID 10036019
n-Heptyl beta-D-thioglucoside
CID 656917
isopropyl-beta-D-thioglucopyranoside
CID 2802070
(2R,3S,4S)-1-[(2S,3S)-3-ethoxy-2,4-dihydroxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride
CID 54580834
(2R,3S,4S)-1-[(2S,3S)-2,4-dihydroxy-3-pentoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride
CID 127052422
2-(Hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
CID 552632
Thiolevomannosan
CID 44424776
(2R,3S,4S,5S,6R)-2-hexylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11426000
(2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol
CID 44588422
Thiomethylgalactoside
CID 92102

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol (CID 44588421) is (2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol is CCS[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol?
The InChIKey is INHTVDLGULFITI-UCROKIRRSA-N. The full InChI is InChI=1S/C7H14O4S/c1-2-12-7-6(10)5(9)4(8)3-11-7/h4-10H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol?
(2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol has a molecular weight of 194.25 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-ethylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 44588421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).