(3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate

C5H10O8S — CID 123459126

IUPAC(3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate
SMILESO=S(=O)(O)OCC1OC(O)C(O)C1O
InChIInChI=1S/C5H10O8S/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H,9,10,11)
InChIKeyCODWLLHMBXREHM-UHFFFAOYSA-N
MW230.19 g/mol
LogP-2.76
Rot. Bonds3

About (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate

(3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate (PubChem CID 123459126) has the molecular formula C5H10O8S and a molecular weight of 230.19 g/mol. Its IUPAC name is (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate.

Molecular Properties

Compound Name(3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate
PubChem CID123459126
Molecular FormulaC5H10O8S
Molecular Weight230.19 g/mol
Exact Mass230.01
IUPAC Name(3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate
SMILESO=S(=O)(O)OCC1OC(O)C(O)C1O
InChIInChI=1S/C5H10O8S/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H,9,10,11)
InChIKeyCODWLLHMBXREHM-UHFFFAOYSA-N
XLogP-2.76
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-2.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate 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

[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfate
CID 71434014
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate
CID 53322463
[(2S,3R,4R,5S,6R)-3,6-dihydroxy-4,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate
CID 21158814
[(2R,3S,4R,5R,6R)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(sulfooxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl]methyl hydrogen sulfate
CID 91825711
sodium N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(sulfooxymethyl)oxan-3-yl]ethanimidate
CID 101133305
[(3S,4R)-3,4,6-trihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl hydrogen sulfate
CID 90352174
[2-hydroxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
CID 22325996
[(2S,3S,4S,5R,6R)-2-hydroxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
CID 90728283
[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(3-oxoprop-2-enyl)oxan-2-yl]methyl hydrogen sulfate
CID 57234795
[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methyl hydrogen sulfate
CID 11238652
(5-acetamido-6-tert-butyl-3,4-dihydroxyoxan-2-yl)methyl hydrogen sulfate
CID 135254485
(3,4,5-trihydroxyoxolan-2-yl)methyl 4-methylbenzenesulfonate
CID 23207115

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate?
The IUPAC name of (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate (CID 123459126) is (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate.
What is the SMILES notation for (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate?
The canonical SMILES for (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate is O=S(=O)(O)OCC1OC(O)C(O)C1O.
What is the InChIKey of (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate?
The InChIKey is CODWLLHMBXREHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O8S/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H,9,10,11).
What are the key properties of (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate?
(3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate has a molecular weight of 230.19 g/mol, XLogP of -2.76, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen sulfate is sourced from PubChem (CID 123459126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).