(2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid

C4H12O8S — CID 162332492

IUPAC(2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid
SMILESO=S(=O)(O)O.OC[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C4H10O4.H2O4S/c5-1-3(7)4(8)2-6;1-5(2,3)4/h3-8H,1-2H2;(H2,1,2,3,4)/t3-,4+;
InChIKeySWYVIJZFRJIJIE-HKTIBRIUSA-N
MW220.20 g/mol
LogP-2.96
Rot. Bonds3

About (2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid

(2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid (PubChem CID 162332492) has the molecular formula C4H12O8S and a molecular weight of 220.20 g/mol. Its IUPAC name is (2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid.

Molecular Properties

Compound Name(2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid
PubChem CID162332492
Molecular FormulaC4H12O8S
Molecular Weight220.20 g/mol
Exact Mass220.03
IUPAC Name(2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid
SMILESO=S(=O)(O)O.OC[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C4H10O4.H2O4S/c5-1-3(7)4(8)2-6;1-5(2,3)4/h3-8H,1-2H2;(H2,1,2,3,4)/t3-,4+;
InChIKeySWYVIJZFRJIJIE-HKTIBRIUSA-N
XLogP-2.96
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.20
LogP ≤ 5-2.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid
CID 175470140
propane-1,2-diol;sulfuric acid
CID 87528272
propane-1,2-diol;sulfuric acid
CID 173459589
bis((2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal);sulfuric acid
CID 73415774
2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid
CID 174474944
(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;sulfuric acid;hydrochloride
CID 87909448
butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
phosphoric acid;propane-1,2,3-triol;sulfuric acid
CID 158330502
2-aminoethanesulfonic acid;hexane-1,2,3,4,5,6-hexol
CID 19097590
2,3,4,5,6-pentahydroxyhexanoic acid;phosphoric acid;sulfuric acid
CID 174408519
methanesulfonic acid;propane-1,2,3-triol
CID 71359937

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid?
The IUPAC name of (2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid (CID 162332492) is (2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid.
What is the SMILES notation for (2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid?
The canonical SMILES for (2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid is O=S(=O)(O)O.OC[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid?
The InChIKey is SWYVIJZFRJIJIE-HKTIBRIUSA-N. The full InChI is InChI=1S/C4H10O4.H2O4S/c5-1-3(7)4(8)2-6;1-5(2,3)4/h3-8H,1-2H2;(H2,1,2,3,4)/t3-,4+;.
What are the key properties of (2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid?
(2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid has a molecular weight of 220.20 g/mol, XLogP of -2.96, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid is sourced from PubChem (CID 162332492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).