hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid

C6H12O9S — CID 101411214

IUPAChydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
SMILESO=S(=O)(O)C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O9S/c7-1-2(8)4(6(11)16(12,13)14)15-5(10)3(1)9/h1-11H,(H,12,13,14)/t1-,2+,3+,4-,5?,6?/m0/s1
InChIKeyJCODMNFVIYJLPB-FRVRDERJSA-N
MW260.22 g/mol
LogP-4.01
Rot. Bonds2

About hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid

hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid (PubChem CID 101411214) has the molecular formula C6H12O9S and a molecular weight of 260.22 g/mol. Its IUPAC name is hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid.

Molecular Properties

Compound Namehydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
PubChem CID101411214
Molecular FormulaC6H12O9S
Molecular Weight260.22 g/mol
Exact Mass260.02
IUPAC Namehydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
SMILESO=S(=O)(O)C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O9S/c7-1-2(8)4(6(11)16(12,13)14)15-5(10)3(1)9/h1-11H,(H,12,13,14)/t1-,2+,3+,4-,5?,6?/m0/s1
InChIKeyJCODMNFVIYJLPB-FRVRDERJSA-N
XLogP-4.01
TPSA164.75 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.22
LogP ≤ 5-4.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[fluoro(hydroxy)methyl]oxane-2,3,4,5-tetrol
CID 67723200
(3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol
CID 67877059
(2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol
CID 71165156
(2R,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 22885266
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119
(2R,3S,4S,5S,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 25323127
2-hydroxy-2-(3,4,5-trihydroxyoxolan-2-yl)acetaldehyde
CID 88900541
(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 21120523
actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 58666535
[hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium
CID 102233403

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid?
The IUPAC name of hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid (CID 101411214) is hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid.
What is the SMILES notation for hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid?
The canonical SMILES for hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid is O=S(=O)(O)C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid?
The InChIKey is JCODMNFVIYJLPB-FRVRDERJSA-N. The full InChI is InChI=1S/C6H12O9S/c7-1-2(8)4(6(11)16(12,13)14)15-5(10)3(1)9/h1-11H,(H,12,13,14)/t1-,2+,3+,4-,5?,6?/m0/s1.
What are the key properties of hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid?
hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid has a molecular weight of 260.22 g/mol, XLogP of -4.01, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid is sourced from PubChem (CID 101411214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).