(2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol

C10H22O6S — CID 154036897

IUPAC(2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol
SMILESCCOC(SCC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H22O6S/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-,10?/m1/s1
InChIKeyUQLBXEWMASGGTD-ZKZCYXTQSA-N
MW270.35 g/mol
LogP-1.46
Rot. Bonds9

About (2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol

(2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol (PubChem CID 154036897) has the molecular formula C10H22O6S and a molecular weight of 270.35 g/mol. Its IUPAC name is (2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol
PubChem CID154036897
Molecular FormulaC10H22O6S
Molecular Weight270.35 g/mol
Exact Mass270.11
IUPAC Name(2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol
SMILESCCOC(SCC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H22O6S/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-,10?/m1/s1
InChIKeyUQLBXEWMASGGTD-ZKZCYXTQSA-N
XLogP-1.46
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 5-1.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5R,6R,7S)-8,8-bis(ethylsulfanyl)octane-1,2,3,4,5,6,7-heptol
CID 121012727
4-ethoxynonane-1,2,3-triol
CID 174961473
(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
CID 89316162
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol (CID 154036897) is (2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol is CCOC(SCC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol?
The InChIKey is UQLBXEWMASGGTD-ZKZCYXTQSA-N. The full InChI is InChI=1S/C10H22O6S/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-,10?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol?
(2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol has a molecular weight of 270.35 g/mol, XLogP of -1.46, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol is sourced from PubChem (CID 154036897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).