D-Aspartic Acid

HCID 83887CAS 1783-96-6

기본 정보

표준 SMILES: N[C@H](CC(=O)O)C(=O)O
InChIKey: CKLJMWTZIZZHCS-UWTATZPHSA-N
분자식: C4H7NO4
평균 분자량: 133.1 g/mol
단동위원소 질량: 133.0375077

개요

D-aspartic acid is the D-enantiomer of aspartic acid. It has a role as a mouse metabolite. It is a D-alpha-amino acid and an aspartic acid. It is a conjugate acid of a D-aspartate(1-). It is an enantiomer of a L-aspartic acid.

이름 및 식별자

우선 이름: D-Aspartic Acid
IUPAC: (2R)-2-aminobutanedioic acid

이름 및 동의어

D-Aspartic acid1783-96-6D-Aspartate(-)-Aspartic acid(2R)-2-aminobutanedioic acid(R)-Aspartic acidAspartic acid, D-DTXSID20456504SR0Q8YD1XDTXCID0025650CHEBI:17364NSC-97922

이름 더 보기

d aspartic acidD Aspartateaspartic acid d-RefChem:3889113-hydroxy-N-(2-methyl-1-oxo-2-propenyl)-(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate217-234-6(R)-2-aminosuccinic acid

데이터베이스 식별자

CAS: 1783-96-6
PubChem CID: 83887
DTXSID: DTXSID2045650
ChEMBL: CHEMBL29757
ChEBI: CHEBI:17364
UNII: 4SR0Q8YD1X
EC Number: 217-234-6
Nikkaji: J9.205C

물성

구조 계산 물성

XLogP: -2.8
극성 표면적: 101 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid

Collision Cross Section · 3건

116.91 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

121.85 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

120.1 Å² [M-H]-

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 88.9% (8 of 9) of all reports.

Warning

H315 (11.1%): 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 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.