(1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol

C8H16O4S2 — CID 10868410

IUPAC(1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1SCCS1
InChIInChI=1S/C8H16O4S2/c1-4(9)5(10)6(11)7(12)8-13-2-3-14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1
InChIKeyFOQSWOQCFBCQCX-VWDOSNQTSA-N
MW240.35 g/mol
LogP-0.74
Rot. Bonds4

About (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol

(1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol (PubChem CID 10868410) has the molecular formula C8H16O4S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol
PubChem CID10868410
Molecular FormulaC8H16O4S2
Molecular Weight240.35 g/mol
Exact Mass240.05
IUPAC Name(1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1SCCS1
InChIInChI=1S/C8H16O4S2/c1-4(9)5(10)6(11)7(12)8-13-2-3-14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1
InChIKeyFOQSWOQCFBCQCX-VWDOSNQTSA-N
XLogP-0.74
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol with MolForge

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Related Compounds

Salacinol
CID 6451151
D-Glucose, diethyl dithioacetal
CID 657375
(2S,3S)-4-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]butane-1,2,3-triol
CID 11748894
Salaprinol
CID 25110936
Neosalacinol
CID 44451613
1,1-Bis(ethylsulfanyl)hexane-2,3,4,5-tetrol
CID 219978
(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-methoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride
CID 54587740
(2R,3S,4S)-1-[(2S,3S)-2,4-dihydroxy-3-pentoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride
CID 127052422
[(2S,3S,4R)-1-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4-dihydroxyheptan-3-yl] sulfate
CID 162656400
(2S,3S)-4-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]butane-1,2,3-triol;methyl sulfate
CID 11748893
D-Glucose, diethyl mercaptal
CID 95420

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol?
The IUPAC name of (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol (CID 10868410) is (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol is C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1SCCS1.
What is the InChIKey of (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol?
The InChIKey is FOQSWOQCFBCQCX-VWDOSNQTSA-N. The full InChI is InChI=1S/C8H16O4S2/c1-4(9)5(10)6(11)7(12)8-13-2-3-14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1.
What are the key properties of (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol?
(1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol has a molecular weight of 240.35 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 10868410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).