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

C8H16O8S2 — CID 88874314

IUPAC(1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1S(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C8H16O8S2/c1-4(9)5(10)6(11)7(12)8-17(13,14)2-3-18(8,15)16/h4-12H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1
InChIKeyLKYRZFJFPVXKHH-VWDOSNQTSA-N
MW304.34 g/mol
LogP-3.38
Rot. Bonds4

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

(1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol (PubChem CID 88874314) has the molecular formula C8H16O8S2 and a molecular weight of 304.34 g/mol. Its IUPAC name is (1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol
PubChem CID88874314
Molecular FormulaC8H16O8S2
Molecular Weight304.34 g/mol
Exact Mass304.03
IUPAC Name(1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1S(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C8H16O8S2/c1-4(9)5(10)6(11)7(12)8-17(13,14)2-3-18(8,15)16/h4-12H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1
InChIKeyLKYRZFJFPVXKHH-VWDOSNQTSA-N
XLogP-3.38
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-3.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol?
The IUPAC name of (1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol (CID 88874314) is (1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-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)C1S(=O)(=O)CCS1(=O)=O.
What is the InChIKey of (1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol?
The InChIKey is LKYRZFJFPVXKHH-VWDOSNQTSA-N. The full InChI is InChI=1S/C8H16O8S2/c1-4(9)5(10)6(11)7(12)8-17(13,14)2-3-18(8,15)16/h4-12H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1.
What are the key properties of (1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol?
(1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol has a molecular weight of 304.34 g/mol, XLogP of -3.38, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithiolan-2-yl)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 88874314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).