Basic information
- CAS
937-34-8- Standard SMILES
O=S(=O)(O)Oc1ccccc1- InChIKey
CTYRPMDGLDAWRQ-UHFFFAOYSA-N- Molecular formula
- C6H6O4S
- Average molar mass
- 174.18 g/mol
- Monoisotopic mass
- 173.99867967
Overview
Phenyl hydrogen sulfate is an aryl sulfate that is phenol bearing an O-sulfo substituent. It has a role as a human xenobiotic metabolite. It is functionally related to a phenol. It is a conjugate acid of a phenyl sulfate.
Names & identifiers
- Preferred name
- Phenol sulfate
- IUPAC
- phenyl hydrogen sulfate
- English name
- phenylsulfate
- Molecular formula
- C6H6O4S
- Molecular weight
- 174.17
Names & synonyms
Phenylsulfatephenyl hydrogen sulfate937-34-8Phenol sulfateSulfuric acid, monophenyl ester2L4RKM5351CHEBI:27905DTXSID50239545RefChem:929013DTXCID00162036aryl sulfatephenyloxidanesulfonic acid
Show more names
Sulfuric acid phenylPhenol hydrogen sulfateSulfuric acid phenyl esterSulfuric acid hydrogen phenyl ester
UNII-2L4RKM5351phenylsulphatephenol sulphateAryl sulphatephenyl hydrogen sulphatephenyl wasserstoff sulfatSCHEMBL138895orb2278963
Database identifiers
- CAS
937-34-8- PubChem CID
- 74426
- DTXSID
DTXSID50239545- ChEBI
CHEBI:27905- UNII
- 2L4RKM5351
- Nikkaji
- J32.910J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Density
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- solubility
- 17.4 mg/mL; · DMSO: 17.4mg/mL; Water: 37.75mg/mL
- form
- A solid
- pka
- -4.29 · -4.29±0.15(Predicted)
- color
- White to off-white
- FDA UNII
- 2 L4RKM5351 · 2L4RKM5351
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Metabolite PathwaysSulfite oxidase deficiency
Applications
UsesPhenyl sulfate is an orally active gut microbiota-derived metabolite. Phenyl sulfate induces albuminuria and podocyte damage in experimental models of diabetes. Phenyl sulfate can be used as a disease marker and future therapeutic target in diabetic kidney disease[1].
Suppliers20 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: An aryl sulfate that is phenol bearing an O-sulfo substituent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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