hydron;2-hydroxyprop-2-enyl sulfate

C3H6O5S — CID 173263988

IUPAChydron;2-hydroxyprop-2-enyl sulfate
SMILESC=C(O)COS(=O)(=O)[O-].[H+]
InChIInChI=1S/C3H6O5S/c1-3(4)2-8-9(5,6)7/h4H,1-2H2,(H,5,6,7)
InChIKeyICUTYZVJZWYCMF-UHFFFAOYSA-N
MW154.14 g/mol
LogP-0.35
Rot. Bonds3

About hydron;2-hydroxyprop-2-enyl sulfate

hydron;2-hydroxyprop-2-enyl sulfate (PubChem CID 173263988) has the molecular formula C3H6O5S and a molecular weight of 154.14 g/mol. Its IUPAC name is hydron;2-hydroxyprop-2-enyl sulfate.

Molecular Properties

Compound Namehydron;2-hydroxyprop-2-enyl sulfate
PubChem CID173263988
Molecular FormulaC3H6O5S
Molecular Weight154.14 g/mol
Exact Mass153.99
IUPAC Namehydron;2-hydroxyprop-2-enyl sulfate
SMILESC=C(O)COS(=O)(=O)[O-].[H+]
InChIInChI=1S/C3H6O5S/c1-3(4)2-8-9(5,6)7/h4H,1-2H2,(H,5,6,7)
InChIKeyICUTYZVJZWYCMF-UHFFFAOYSA-N
XLogP-0.35
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

hydron;2-hydroxyethyl sulfate
CID 173263896
sodium hydroxymethyl sulfate
CID 23709001
lithium prop-2-enyl sulfate
CID 87403119
ethyl sulfate;tetramethylphosphanium
CID 161050866
aluminum tris(prop-2-enyl sulfate)
CID 173336945
lithium fluoromethyl sulfate
CID 118676430
1-sulfonatooxyethenyl sulfate
CID 22162560
(3-methyl-2-oxobut-3-enyl) hydrogen sulfate
CID 19888767
potassium [3-sulfooxy-2,2-bis(sulfooxymethyl)propyl] sulfate
CID 168867676
azanium [4-hydroxy-2,2-bis(2-hydroxyethyl)butyl] sulfate
CID 141385996
ethyl sulfate;2-methylprop-2-enoate;bis(trimethylazanium)
CID 139795238
ethyl sulfate;thulium(3+)
CID 25022214

Frequently Asked Questions

What is the IUPAC name of hydron;2-hydroxyprop-2-enyl sulfate?
The IUPAC name of hydron;2-hydroxyprop-2-enyl sulfate (CID 173263988) is hydron;2-hydroxyprop-2-enyl sulfate.
What is the SMILES notation for hydron;2-hydroxyprop-2-enyl sulfate?
The canonical SMILES for hydron;2-hydroxyprop-2-enyl sulfate is C=C(O)COS(=O)(=O)[O-].[H+].
What is the InChIKey of hydron;2-hydroxyprop-2-enyl sulfate?
The InChIKey is ICUTYZVJZWYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5S/c1-3(4)2-8-9(5,6)7/h4H,1-2H2,(H,5,6,7).
What are the key properties of hydron;2-hydroxyprop-2-enyl sulfate?
hydron;2-hydroxyprop-2-enyl sulfate has a molecular weight of 154.14 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-hydroxyprop-2-enyl sulfate is sourced from PubChem (CID 173263988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).