D-Valine

HCID 71563CAS 640-68-6

基本情報

標準SMILES: CC(C)[C@@H](N)C(=O)O
InChIKey: KZSNJWFQEVHDMF-SCSAIBSYSA-N
分子式: C5H11NO2
平均分子量: 117.15 g/mol
単同位体質量: 117.07897859

概要

D-valine is the D-enantiomer of valine. It is a D-alpha-amino acid and a valine. It is a conjugate base of a D-valinium. It is a conjugate acid of a D-valinate. It is an enantiomer of a L-valine. It is a tautomer of a D-valine zwitterion.

名称と識別子

優先名称: D-Valine
IUPAC: (2R)-2-amino-3-methylbutanoic acid

名称と別名

D-Valine640-68-6(R)-Valine(2R)-2-amino-3-methylbutanoic acidValine, D-D-valin(R)-2-Amino-3-methylbutyric acidEINECS 211-368-9NSC 20654DTXSID0046064D-2-Amino-3-methylbutanoic acidD-(-)-VALINE

名称をさらに表示

Y14I1443URNSC-20654VALINE, (-)-DTXCID8026064CHEBI:27477D-2-amino-3-methylbutyric acid2-Amino-3-methylbutanoic acid(D)(R)Valine

データベース識別子

CAS: 640-68-6
PubChem CID: 71563
DTXSID: DTXSID0046064
ChEMBL: CHEMBL1232398
ChEBI: CHEBI:27477
UNII: Y14I1443UR
EC Number: 211-368-9
Nikkaji: J9.198G

物性

構造計算による物性

XLogP: -2.3
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 90.4

実験および物理化学的性質

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 87.5% (7 of 8) of all reports.

Warning

H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.