(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid

C6H12O8S — CID 166133374

IUPAC(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid
SMILESC[C@H]1O[C@](O)(S(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O8S/c1-2-3(7)4(8)5(9)6(10,14-2)15(11,12)13/h2-5,7-10H,1H3,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyHVHHHLYYYJLHRF-DVKNGEFBSA-N
MW244.22 g/mol
LogP-2.98
Rot. Bonds1

About (2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid

(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid (PubChem CID 166133374) has the molecular formula C6H12O8S and a molecular weight of 244.22 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid
PubChem CID166133374
Molecular FormulaC6H12O8S
Molecular Weight244.22 g/mol
Exact Mass244.03
IUPAC Name(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid
SMILESC[C@H]1O[C@](O)(S(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O8S/c1-2-3(7)4(8)5(9)6(10,14-2)15(11,12)13/h2-5,7-10H,1H3,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyHVHHHLYYYJLHRF-DVKNGEFBSA-N
XLogP-2.98
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-2.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid?
The IUPAC name of (2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid (CID 166133374) is (2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid?
The canonical SMILES for (2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid is C[C@H]1O[C@](O)(S(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid?
The InChIKey is HVHHHLYYYJLHRF-DVKNGEFBSA-N. The full InChI is InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(9)6(10,14-2)15(11,12)13/h2-5,7-10H,1H3,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid?
(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid has a molecular weight of 244.22 g/mol, XLogP of -2.98, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid is sourced from PubChem (CID 166133374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).