b-D-吡喃葡萄糖，1-硫代-，1-[N-（磺酰氧基）-5-己烯酰胺] | 19041-10-2
b-D-吡喃葡萄糖，1-硫代-，1-[N-（磺酰氧基）-5-己烯酰胺]
b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-5-hexenimidate]
19041-10-2
C12H21NO9S2
386.419
名称和标识符
| InChIKey |
XMJFVIGTHMOGNZ-AHMUMSBHSA-N |
| Inchi |
InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/b13-8-/t7-,9-,10+,11-,12+/m1/s1 |
| SMILES |
C=CCCC/C(/S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/OS(=O)(O)=O |
别名信息
- 英文别名 -
- b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-5-hexenimidate]
- (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-pent-4-enyl-N -sulfonatooxy-carbonimidoyl)sulfanyl-oxane
- 1-S-[(1E)-N-(sulfonatooxy)hex-5-enimidoyl]-1-thio-beta-D-glucopyranose
- 4-PENTENYLGLUCOSINOLATE
- glucobrassicanapin(1-)
- 1-S-[1-(Sulfooxyimino)-5-hexenyl]-1-thio-β-D-glucopyranose
- N-(Sulfooxy)-S-(β-D-glucopyranosyl)-5-hexenimidothioic acid
- 1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-5-hexeneimidate]
- N-(Hydroxysulfonyloxy)-5-hexenimidothioic acid β-D-glucopyranosyl ester
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxyhex-5-enimidothioate
- N-sulfoxyhex-5-enimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
- C08403
- 19041-10-2
- Glucobrassicanapin
- 1-S-[N-(Sulfooxy)hex-5-enimidoyl]-1-thiohexopyranose
- DTXSID50940604
- NS00094464
- Glucobrassicanapin (Pent-4-enyl-GS)
- 4-Pentenyl glucosinolate
- 1-Thio-b-D-glucopyranose 1-[N-(sulfooxy)-5-hexenimidate], 9CI
- beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-5-hexenimidate)
- 4-Pentenylglucosinolate
- (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-pent-4-enyl-N -sulfonatooxy-carbonimidoyl)s
- [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxyhex-5-enimidothioate
- CHEBI:79318
- Glucobrassicanapin , HPLC Grade
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxyhex-5-enimidothioate
- 1-S-[(1Z)-N-(sulfooxy)hex-5-enimidoyl]-1-thio-beta-D-glucopyranose
- 4-pentenylglucosinolate
- 4-Pentenylglucosinolate potassiumsalt
- glucobrassicanapin
- pent-4-enylglucosinolate
物化性质
实验特性
计算特性
| 精确分子量 |
387.066 |
| 氢键供体数量 |
5 |
| 氢键受体数量 |
11 |
| 可旋转化学键数量 |
9 |
| 同位素质量 |
387.066 |
| 重原子数量 |
24 |
| 复杂度 |
533 |
| 同位素原子数量 |
0 |
| 确定原子立构中心数量 |
5 |
| 不确定原子立构中心数量 |
0 |
| 确定化学键立构中心数量 |
1 |
| 不确定化学键立构中心数量 |
0 |
| 共价键单元数量 |
1 |
| 疏水参数计算参考值（XlogP） |
-0.4 |
| 拓扑分子极性表面积 |
200A^2 |
相关文献
-
1.
Advances in nanomaterials as novel elicitors of pharmacologically active plant specialized metabolites: current status and future outlooks
Sumaira Anjum,Iram Anjum,Christopher Hano,Sidra Kousar RSC Adv. 2019 9 40404
-
2.
Antioxidant and anti-inflammatory effects of cauliflower leaf powder-enriched diet against LPS induced toxicity in rabbits
Marilena Larocca,Anna Maria Perna,Amalia Simonetti,Emilio Gambacorta,Alessandra Iannuzzi,Angela Perucatti,Rocco Rossano Food Funct. 2017 8 3288
-
3.
Brassica rapa L. (Tibetan turnip) prevents sleep-deprivation induced cognitive deficits via the inhibition of neuroinflammation and mitochondrial depolarization
Hongkang Zhu,Cheng Wang,Yuliang Cheng,Yahui Guo,He Qian,Yu Liu Food Funct. 2022 13 10610
-
4.
Glucosinolates, structures and analysis in food
Don Brian Clarke Anal. Methods 2010 2 310
-
5.
Glucosinolates from pak choi and broccoli induce enzymes and inhibit inflammation and colon cancer differently
Doris Lippmann,Carsten Lehmann,Simone Florian,Gitte Barknowitz,Michael Haack,Inga Mewis,Melanie Wiesner,Monika Schreiner,Hansruedi Glatt,Regina Brigelius-Flohé,Anna P. Kipp Food Funct. 2014 5 1073
b-D-吡喃葡萄糖，1-硫代-，1-[N-（磺酰氧基）-5-己烯酰胺]推荐生产厂家
商务合作对接
关注官方微信公众号
微信扫码联系客服
![b-D-吡喃葡萄糖，1-硫代-，1-[N-（磺酰氧基）-5-己烯酰胺]结构式图片|19041-10-2结构式图片](https://scimg.chem960.com/cas/150/19041-10-2.png?t=638489156588683810)
