(5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol

C6H10O9S — CID 140556041

IUPAC(5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol
SMILESC[C@@H]1OC2(O)OS(=O)(=O)O[C@]2(O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10O9S/c1-2-3(7)4(8)5(9)6(10,13-2)15-16(11,12)14-5/h2-4,7-10H,1H3/t2-,3-,4+,5+,6?/m0/s1
InChIKeyVTTOVKOMHDZPJH-JFNONXLTSA-N
MW258.20 g/mol
LogP-3.25
Rot. Bonds

About (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol

(5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol (PubChem CID 140556041) has the molecular formula C6H10O9S and a molecular weight of 258.20 g/mol. Its IUPAC name is (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol.

Molecular Properties

Compound Name(5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol
PubChem CID140556041
Molecular FormulaC6H10O9S
Molecular Weight258.20 g/mol
Exact Mass258.00
IUPAC Name(5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol
SMILESC[C@@H]1OC2(O)OS(=O)(=O)O[C@]2(O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10O9S/c1-2-3(7)4(8)5(9)6(10,13-2)15-16(11,12)14-5/h2-4,7-10H,1H3/t2-,3-,4+,5+,6?/m0/s1
InChIKeyVTTOVKOMHDZPJH-JFNONXLTSA-N
XLogP-3.25
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-3.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol with MolForge

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Related Compounds

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(5R,6S,7S,7aR)-7-amino-5-(hydroxymethyl)-2,2-dioxo-5,6-dihydro-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol
CID 141165710
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ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol?
The IUPAC name of (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol (CID 140556041) is (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol.
What is the SMILES notation for (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol?
The canonical SMILES for (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol is C[C@@H]1OC2(O)OS(=O)(=O)O[C@]2(O)[C@H](O)[C@H]1O.
What is the InChIKey of (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol?
The InChIKey is VTTOVKOMHDZPJH-JFNONXLTSA-N. The full InChI is InChI=1S/C6H10O9S/c1-2-3(7)4(8)5(9)6(10,13-2)15-16(11,12)14-5/h2-4,7-10H,1H3/t2-,3-,4+,5+,6?/m0/s1.
What are the key properties of (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol?
(5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol has a molecular weight of 258.20 g/mol, XLogP of -3.25, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol is sourced from PubChem (CID 140556041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).