2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol

C6H10O6S2 — CID 15043698

IUPAC2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol
SMILESOC1OC(C2OC(O)C(O)S2)SC1O
InChIInChI=1S/C6H10O6S2/c7-1-3(9)13-5(11-1)6-12-2(8)4(10)14-6/h1-10H
InChIKeyZTCKPNPGFHDWGG-UHFFFAOYSA-N
MW242.27 g/mol
LogP-1.56
Rot. Bonds1

About 2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol

2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol (PubChem CID 15043698) has the molecular formula C6H10O6S2 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol.

Molecular Properties

Compound Name2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol
PubChem CID15043698
Molecular FormulaC6H10O6S2
Molecular Weight242.27 g/mol
Exact Mass241.99
IUPAC Name2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol
SMILESOC1OC(C2OC(O)C(O)S2)SC1O
InChIInChI=1S/C6H10O6S2/c7-1-3(9)13-5(11-1)6-12-2(8)4(10)14-6/h1-10H
InChIKeyZTCKPNPGFHDWGG-UHFFFAOYSA-N
XLogP-1.56
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol?
The IUPAC name of 2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol (CID 15043698) is 2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol.
What is the SMILES notation for 2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol?
The canonical SMILES for 2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol is OC1OC(C2OC(O)C(O)S2)SC1O.
What is the InChIKey of 2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol?
The InChIKey is ZTCKPNPGFHDWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6S2/c7-1-3(9)13-5(11-1)6-12-2(8)4(10)14-6/h1-10H.
What are the key properties of 2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol?
2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol has a molecular weight of 242.27 g/mol, XLogP of -1.56, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol is sourced from PubChem (CID 15043698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).