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PROTAC CRABP-II Degrader-1 structure
PROTAC CRABP-II Degrader-1 structure

PROTAC CRABP-II Degrader-1

Iupac Name:iron
CAS No.: 7439-89-6
Molecular Weight:55.845
Modify Date.: 2022-03-14 14:59
1. Names and Identifiers
1.1 Name
PROTAC CRABP-II Degrader-1
1.2 Synonyms

(2E,4E,6E,8E)-9-[(3E)-3-[({[2-(2-{[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoyl]oxy}ethoxy)ethyl]carbamoyl}methoxy)imino]-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid (4E)-4-{[2-({2-[2-( Retinoic acid, 4-[[

1.3 CAS No.
7439-89-6
1.4 CID
23925
1.5 Molecular Formula
C12H19NO4 (isomer)
1.6 Inchi
InChI=1S/Fe
1.7 InChkey
XEEYBQQBJWHFJM-UHFFFAOYSA-N
1.8 Canonical Smiles
[Fe]
1.9 Isomers Smiles
[Fe]
2. Properties
3.1 Density
1.3±0.1 g/cm3 (Predicted)
3.1 Melting point
1535℃
3.1 Vapour pressure
1Pa at 1455 °C (solid); 10 Pa at 1617 °C; 100 Pa at 1818 °C; 1 kPa at 2073 °C; 10 kPa at 2406 °C; 100 kPa at 2859 °C
3.1 Precise Quality
55.93490
3.1 PSA
0.00000
3.1 logP
-0.00250
3. Safety and Handling
4.1 Symbol
GHS02;
4.1 Signal Word
DANGER
4.1 Risk Statements
R11
4.1 Safety Statements
S16
4.1 Packing Group
III
4.1 Hazard Class
8
4.1 Hazard Declaration
H228
4.1 RIDADR
UN 1383/3089
4.1 Caution Statement
P210
4.1 WGK Germany
1
4.1 RTECS
NO4565500
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 55.845g/mol
  • Molecular Formula: C12H19NO4
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 55.934936
  • Monoisotopic Mass: 55.934936
  • Complexity: 0
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Topological Polar Surface Area: 0
  • Heavy Atom Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcQAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
  • I need to prepare a solution of Ferrous Iron (Fe2+). This solution will be used to test a water filtration system by simulating the Ferrous Iron that is sometimes present in well water. The system is supposed to convert the Ferrous Iron to Iron Hydroxide precipitate via a Manganese Oxide catalyst a...
  • It would be extremely difficult, especially nowadays, but aluminium is relatively new to mankind and ancient e lived without iron. Aluminium was only discovered in 1825 by a Danish chemist.
  • The electron configuration of iron(Fe) is [Ar] 3d6 4s2 If iron release two electrons its form Fe^2+ ion and the electron configuration becomes as [Ar] 3d^6 Again to get more stability iron release another electron to form Fe^3+ ion. In this circumstances, the electron configuration of Fe^3+ becomes...
  • “The goffering or 'tally' iron (the latter a corruption of 'Italian iron' after the country from which they were introduced in the early 17th century) was used to make ruffles, frills and flounces in starched linen. The barrel was heated by inserting a red-hot bar of iron like a poker. Goffering i...
8. Realated Product Infomation