아트락틸로사이드칼륨염
Dipotassium;[(2S,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
기본 정보
- CAS
102130-43-8- 표준 SMILES
C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@H]5O[C@H](CO)[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1O.[K+].[K+]- InChIKey
IUCNQFHEWLYECJ-VCQILIGCSA-L- 분자식
- C30H44K2O16S2
- 평균 분자량
- 803 g/mol
- 단동위원소 질량
- 802.1344906
개요
See other relationships...
이름 및 식별자
- 우선 이름
- Dipotassium;[(2S,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
- IUPAC
- dipotassium;[(2S,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
- 현지명
- 아트락틸로사이드칼륨염
- 영어명
- ATRACTYLOSIDE POTASSIUM SALT
- 분자식
- C30H47KO16S2
- 분자량
- 766.91
이름 및 동의어
102130-43-8Dipotassium;[(2S,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfateMFCD00078810Atractylin (C30 glucoside)Atractyloside (potassium salt)Atractylic acid dipotassium saltSCHEMBL30190052HMS2097C16(2|A,15|A)-15-Hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-|A-D-glucopyranosyl]oxy]-19-Norkaur-16-en-18-oic Acid Dipotassium Salt; 19-Norkaur-16-en-18-oic acid deriv. 1H-2,10a-EthanophenanthreneMA18026AC-34083DA-61303
이름 더 보기
아트락틸로사이드칼륨염ATR, 2Kbis(potassium salt)Atractyloside dipotassiumATRACTYLOSIDE POTASSIUM SALTATRACTYLOSIDE, DIPOTASSIUM SALTAtractyloside dipotassium salt, >=98%
물성
구조 계산 물성
- 극성 표면적
- 272 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,440
물리화학적 성질
- 녹는점
- 234 · 234-238°C
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 2 O: · H2O: 20 mg/mL
- 물리적 상태
- 고체
- 색상
- 옅은 갈색에서 옅은 베이지까지
- 안정성
- 흡습성
- InChIKey
- VFOXXOVBJAYRTD-GYBHJGEKNA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 2
- HS 번호
- 2938909090
- risk_code
- 23/24/25
- hazard_code
- T
- safety_code
- 36/37-45
- 포장분류
- I
- 위험 등급
- 6.1(a)
화학 및 산업
응용 분야
개요Atractyloside is a natural heteroglucoside produced in some plants, including A. gummifera. Atractyloside prevents mitochondrial ATP synthesis by inhibiting ADP/ATP translocases, which are responsible for the exchange of adenine di- and triphosphates across the inner mitochondrial membrane.
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