D-Glucarsure

saccharic acid · CALCIUM D-SACCHARATE · Glucarate · SACCARIC ACID · D-SACCHARIC ACID CALCIUM SALT · D-glucaricaci · D-glucaric acid · SACCHARIC ACID CA

https://huagongshe.com/de/chemical/33037

Identifikatoren & physikalische Daten

CAS No.	25525-21-7
Summenformel	C6H10O8
Durchschnittliche Molmasse	210,14 g/mol
Monoisotopische Masse	210,03756728 g/mol
SMILES	O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
InChIKey	DSLZVSRJTYRBFB-LLEIAEIESA-N
PubChem CID	33037
ChEMBL	CHEMBL1794737
ChEBI	CHEBI:16002
EC No.	201-768-1
DTXSID	DTXSID501340165
Lokaler Name	D-Glucarsure

Chemische & physikalische Eigenschaften

XLogP	-2,5
Polarare Oberfläche (TPSA)	156
H-Brücken-Donoren	6
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	5
Schwere Atome	14
Formalladung	0
Komplexität	202
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Lipide	Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Kosmetika	Hair conditioning
Löslichkeit	912 mg/mLEasily soluble (water, ethanol)
Physical Description	Solid
Collision Cross Section	148.8 Å² [M+K]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]130.92 Å² [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]135.7 Å² [M-H]- [CCS Type: DTMethod: stepped-field]
Schmelzpunkt	125-126°
Siedepunkt	269.65°C (rough estimate)
Dichte	1.5274 (rough estimate)
Brechungsindex	1.5800 (estimate)
Lagerbedingungen	Sealed in dry,2-8°C
Aggregatzustand	Solid
pKa (Säurekonstante)	2.99±0.35(Predicted)
Farbe	White to off-white
Kosmetik-Inhaltsstoffe Funktionen	HAIR CONDITIONING
InChI	InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
InChIKey	DSLZVSRJTYRBFB-LLEIAEIESA-N
SMILES	C(O)(=O)[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O)O)O)O

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.WarningH315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger
EPA Safer Chemical	Chemical: D-Glucaric acid
Hazard Classes and Categories	Skin Irrit. 2 (97.4%)Flam. Sol. 2 (100%)
Wassergefährdungsklasse (WGK)	3

Anwendungen & Verwendung

Beschreibung

Saccharic acid, also called glucaric acid, is a chemical compound with the formulaC6H10O8. It is derived by oxidizing a sugar such as glucose with nitric acid. The salts of saccharic acid are called saccharates.

Verwenden

Pharmaceutic aid (stabilizer).