D-Aspartsure

D-ASP · D-(-)-ASPARTIC ACID · H-D-ASP-OH · (R)-2-AMINOSUCCINIC ACID · Aspartic acid D-form · d-aspartic · H-D-Asp · D-Asp-OH

https://huagongshe.com/de/chemical/83887

Identifikatoren & physikalische Daten

CAS No.	1783-96-6
Summenformel	C4H7NO4
Durchschnittliche Molmasse	133,1 g/mol
Monoisotopische Masse	133,0375077 g/mol
SMILES	N[C@H](CC(=O)O)C(=O)O
InChIKey	CKLJMWTZIZZHCS-UWTATZPHSA-N
PubChem CID	83887
ChEMBL	CHEMBL29757
ChEBI	CHEBI:17364
EC No.	217-234-6
DTXSID	DTXSID2045650
Lokaler Name	D-Aspartsure

Chemische & physikalische Eigenschaften

XLogP	-2,8
Polarare Oberfläche (TPSA)	101
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	3
Schwere Atome	9
Formalladung	0
Komplexität	133
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Physical Description	Solid
Collision Cross Section	116.91 Å² [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]121.85 Å² [M-H]- [CCS Type: DTMethod: stepped-field]120.1 Å² [M-H]-
Schmelzpunkt	>300 °C(lit.)
Siedepunkt	245.59°C (rough estimate)
Dichte	1.66
Brechungsindex	-25 ° (C=8, 50% HCl)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	Aqueous Acid (Sparingly)SOLUBLE
pKa (Säurekonstante)	pK1: 1.89(0)pK2: 3.65pK3: 9.60 (25°C)
Aggregatzustand	Crystalline Powder
Farbe	White to off-white
Merck	14,840
BRN	1723529
InChI	1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChIKey	CKLJMWTZIZZHCS-UWTATZPHSA-N
SMILES	N[C@H](CC(O)=O)C(O)=O
LogP (Verteilungskoeffizient)	-1.075 (est)
CAS Datenbank	1783-96-6(CAS DataBase Reference)
NIST chemische Informationen	D-aspartic acid(1783-96-6)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 88.9% (8 of 9) of all reports.WarningH315 (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.
Regulatorische Informationen	D-Aspartic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (11.1%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29224995
RTECS-Nr.	CI9097500
R-Sätze (R)	20/21/22-36/37/38
Gefahrensymbole	Xn
Sicherheitshinweise (S)	24/25-36-26
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

A non-essential amino acid found in food sources and dietary supplements. D-Aspartic acid's conjugate base D-aspartate has potential use as a a therapeutic agent in the treatment of schizophrenia-related symptoms.