Isovaleric acid-d9 - ≥98%(CP),≥98 atom% D , CAS No.344298-81-3

CAS: 344298-81-3 Cat. No.: I340608 분자식: C₅HD₉O₂ 분자량: 111.19 EC 번호: 110-228-3

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

3-(Methyl-d3)-butanoic-2,2,3,4,4,4-d6 Acid | 3-Methyl-butanoic Acid-d9 | 3-Methyl-1-butanoic acid-d9

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Isovaleric acid-d9 is the deuterium labeled Isovaleric acid. Isovaleric acid is a natural fatty acid and known to effect on neonatal death and possible Jamaican vomiting sickness in human.

Specifications

동의어

3-(Methyl-d3)-butanoic-2,2,3,4,4,4-d6 Acid | 3-Methyl-butanoic Acid-d9 | 3-Methyl-1-butanoic acid-d9

사양 및 순도

≥98%(CP),≥98 atom% D

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%(CP),≥98 atom% D

이름과 식별자

Pubchem Sid

528771755

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771755

정식 스마일

CC(C)CC(=O)O

IUPAC Name

2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic acid

InChIKey

GWYFCOCPABKNJV-CBZKUFJVSA-N

INCHI

1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D

이성체 SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)O

대체 CAS

503-74-2（unlabelled）

분자량

111.19

Reaxy-Rn

1098522

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098522&ln=

화학 및 물리적 특성

• 분자량: 111.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 111.125 Da
• Monoisotopic Mass: 111.125 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 66.500
• Isotope Atom Count: 9
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1