Basic information
- Standard SMILES
CCOC(=O)[C@H](Cc1cc(I)c(Oc2ccc(OC)cc2)c(I)c1)NC(C)=O- InChIKey
LCJKMEUFNHSFPB-SFHVURJKSA-N- Molecular formula
- C20H21I2NO5
- Average molar mass
- 609.2 g/mol
Names & identifiers
- Preferred name
- L-Tyrosine, N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)-, ethyl ester
- IUPAC
- ethyl (2S)-2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate
- English name
- Ethyl 2-(acetylamino)-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate
- Molecular formula
- C20H21I2NO5
- Molecular weight
- 609.19
Names & synonyms
L-Tyrosine, N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)-, ethyl esterRefChem:798169815-708-2SCHEMBL8745456LCJKMEUFNHSFPB-SFHVURJKSA-N(S)-N-acetyl-3,5-diiodo-4-p-methoxyphenoxyphenylalanine ethyl esterEthyl N-acetyl-3,5-diiodo-O-(4-methoxyphenyl)-L-TyrosinateAc-3,5-diiodo-4-(4-methoxyphenoxy)-Phe-OEtN-Acetyl-3,5-diiodo-O'-Methyl-L-Thyronine ethyl esterN-acetyl-O-(4-methoxyphenyl)-3,5-diiodo-L-tyrosine ethyl ester3,5-Diiodo-4-(p-methoxyphenoxy)-N-acetyl-L-phenylalanineethylester3,5-Diiodo-4-(4-methoxyphenoxy)-N-acetyl-L-phenylalanine ethyl ester
Show more names
ethyl 2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoateEthyl 2-(acetylamino)-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propionic acid ethyl ester
Database identifiers
- CAS
83249-56-3- PubChem CID
- 10952191
- EC Number
- 815-708-2
- Nikkaji
- J963.053H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Melting point
- 138 · 138-139 °C
- Boiling point
- 608 · 608.0±55.0 °C(Predicted)
- Density
- 1.718 · 1.718-1.725g/cm3 at 20-20.2℃
- vapor pressure
- 0.002 · 0.002-0.021Pa at 120-150℃
- storage temp.
- 2 · 2-8°C
- pka
- 14.51 · 14.51±0.46(Predicted)
- LogP
- 3.6 at · 3.6 at 25℃ and pH7
- Hazard statements
- 413 · H413
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29949
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers11 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Hebei Conchain Biotech Co.,Ltd+86-13630830762 +86-13630830762 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
1 records
Linked notes
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