Cas no 107657-50-1 (b-D-Glucopyranose, 1-thio-,1-[(3R)-3-hydroxy-N-(sulfooxy)-5-hexenimidate] (9CI))
![b-D-Glucopyranose, 1-thio-,1-[(3R)-3-hydroxy-N-(sulfooxy)-5-hexenimidate] (9CI) structure](https://ossimg.kuujia.com/scimg/108000/107657-50-1x500.png)
107657-50-1 structure
Product Name:b-D-Glucopyranose, 1-thio-,1-[(3R)-3-hydroxy-N-(sulfooxy)-5-hexenimidate] (9CI)
CAS No:107657-50-1
MF:C12H21NO10S2
MW:403.425842046738
CID:173317
Update Time:2024-01-26
b-D-Glucopyranose, 1-thio-,1-[(3R)-3-hydroxy-N-(sulfooxy)-5-hexenimidate] (9CI) Chemical and Physical Properties
Names and Identifiers
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- b-D-Glucopyranose, 1-thio-,1-[(3R)-3-hydroxy-N-(sulfooxy)-5-hexenimidate] (9CI)
- PRONAPOLEIFERIN
- b-D-Glucopyranose, 1-thio-,1-[3-hydroxy-N-(sulfooxy)-5-hexenimidate], (R)-
- 1-Thio-β-D-glucopyranose 1-[(R)-N-(hydroxysulfonyloxy)-3-hydroxy-5-hexeneimidate]
- β-D-Glucopyranose, 1-thio-, 1-[(3R)-3-hydroxy-N-(sulfooxy)-5-hexenimidate] (9CI)
-
- Inchi： 1S/C12H21NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h2,6-7,9-12,14-18H,1,3-5H2,(H,19,20,21)/b13-8-/t6-,7-,9-,10+,11-,12+/m1/s1
- InChI Key： ZEGLQSKFSKZGRO-UYRJXSGFSA-N
- SMILES： C(=N/OS(O)(=O)=O)(/S[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)\C[C@H](O)CC=C
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 403.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 25
- Rotatable Bond Count: 9
- Complexity: 563
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 220A^2
Experimental Properties
- Density: 1.73±0.1 g/cm3(Predicted)
- PSA: 52.54
- pka: -3.09±0.18(Predicted)
b-D-Glucopyranose, 1-thio-,1-[(3R)-3-hydroxy-N-(sulfooxy)-5-hexenimidate] (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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