2-keto-L-Gulonic acid

Ascorbic acid impurity C CRS · 2-KETO-L-GULONIC ACID HYDRATE · 2-Keto-L-culonic acid · 2-KETO-L-GULONIC ACID · 2-Keto-L-gulonic acid H2O (1:x) · 2-Keto-L-gulonic acid hydrate,90% · 2-Keto-L-gulonic acid hydrateE chem · L-xylo-2-Hexulosonicacid, hydrate (9CI)

https://huagongshe.com/ko/chemical/102424

식별자 및 물리적 특성

CAS No.	342385-52-8
분자식	C6H10O7
평균 분자량	194.14 g/mol
단동위원소 질량	194.04265265 g/mol
SMILES	O=C(O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIKey	VBUYCZFBVCCYFD-NUNKFHFFSA-N
PubChem CID	102424
ChEBI	CHEBI:19543
EC No.	208-403-5
DTXSID	DTXSID901031512

화학 및 물리적 성질

XLogP	-2.9
극성 표면적	135
수소 결합 공여자 수	5
수소 결합 수용자 수	7
회전 가능 결합 수	5
무거운 원자 수	13
형식 전하	0
복잡도	201
녹는점	159-162 °C
저장 조건	Hygroscopic, Refrigerator, under inert atmosphere
용해도	DMSO(약간 용해됨), 물(약간 용해됨)
물리적 상태	고체
색상	미색부터 페일 베이지까지
안정성	흡습성
InChI	InChI=1/C6H10O7.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)1H2/t2-,3+,4-/s3
InChIKey	AJDGHHWRQQMMDK-KORJBYCENA-N
SMILES	[C@@H](O)(C(=O)C(=O)O)[C@H](O)[C@@H](O)CO.O \|&1:0,7,9,r\|

화학적 성질

beige crystalline powder

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Status: Active Update: 05-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2059
Hazard Classes and Categories	Eye Irrit. 2 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	37/39-26-36

용도

L-xylo-2-Hexulosonic Acid Hydrate is the direct precursor of vitamin C (A786990); a physiological antioxidant and coenzyme for a number of hydroxylation reactions. Required for collagen synthesis and widely distributed in plants and animals. Inadequate intake results in deficiency syndromes such as scurvy. Also used as an antimicrobial and antioxidant in foodstuffs.