HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychroman

HCID 3082015
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
4072-32-6
Standard SMILES
COC(=O)CCC1CCc2c(C)c(O)c(C)c(C)c2O1
InChIKey
RWIFOLRMGIHBTH-UHFFFAOYSA-N
Molecular formula
C16H22O4
Average molar mass
278.34 g/mol
Monoisotopic mass
278.15180918

Overview

structure given in first source; a metabolite of delta-tocopherol

Names & identifiers

Preferred name
2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychroman
IUPAC
methyl 3-(6-hydroxy-5,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl)propanoate
English name
methyl 3-(6-hydroxy-5,7,8-trimethyl-chroman-2-yl)propanoate
Molecular formula
C16H22O4
Molecular weight
278.34

Names & synonyms

2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychromanRefChem:82665methyl 3-(6-hydroxy-5,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl)propanoateMETHYL 3-(6-HYDROXY-5,7,8-TRIMETHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)PROPANOATERac-(5-2H3)-alpha-CEHCSCHEMBL28466912DTXSID40863313DB-221024NS001251622H-1-Benzopyran-2-propanoic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-alpha-CEHCγ-CEHC
Show more names
α-CEHCAXODOWFEFKOVSH-UHFFFAOYSA-Nmethyl 3-(6-hydroxy-5,7,8-trimethyl-chroman-2-yl)propanoate

Database identifiers

CAS
4072-32-6
PubChem CID
3082015
DTXSID
DTXSID40863313

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
343

Physicochemical properties

storage temp.
-20 °C · Store at -20°C
solubility
20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2)(1:1): .25 mg/ml; Ethanol: 10 mg/ml
form
A crystalline solid

Chemistry & industry

Applications · 2 items

DescriptionMolecules having vitamin E antioxidant activity include four tocopherols (α, β, δ, and γ) and four tocotrienols (α, β, δ, and γ).1 α-Tocopherol is the major lipid soluble antioxidant in vivo and protects against lipid peroxidation.2 α-CEHC is the major urinary metabolite of α-tocopherol following vitamin E supplementation.3 The concentration of α-CEHC in human serum is in the range of 5-10 pmol/ml but increases significantly up to 200 pmol/ml upon supplementation with RRR-α-tocopherol. About one-third of the α-CEHC circulating in the blood is present as a glucuronide conjugate.4 α-CEHC was only excreted when a threshold concentration of 7-9 μmol α-tocopherol/g total lipid in plasma was exceeded. Therefore, excretion of α-CEHC may be considered to be a marker of optimum vitamin E intake.5

UsesSulfacetamide (sodium monohydrate) (Standard) is the analytical standard of Sulfacetamide (sodium monohydrate). This product is intended for research and analytical applications. 0

Suppliers5 total

MedBio脉铂医药021-69568360 18916172912 · [email protected]
成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes