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Atractyloside potassium salt

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Name

Atractyloside potassium salt

EINECS N/A
CAS No. 102130-43-8 Density N/A
PSA 272.14000 LogP 3.14340
Solubility H2O: 20 mg/mL Melting Point N/A
Formula C30H44K2O16S2 Boiling Point N/A
Molecular Weight 802.998 Flash Point N/A
Transport Information UN 2811 Appearance Solid
Safety 36/37-45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 102130-43-8 (ATRACTYLOSIDE POTASSIUM SALT) Hazard Symbols ToxicT
Synonyms

Atractyloside potassium salt;Atractyloside, dipotassium salt, atractylis gummifera;

 

Atractyloside potassium salt Specification

The systematic name of Atractyloside potassium salt is dipotassium (2R,4R,4aR,6aR,7S,11aS,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonatohexopyranoside. With the CAS registry number 102130-43-8, it is also named as Atractyloside, dipotassium salt, atractylis gummifera. The product's categories are Cell Stress; Mitochondrial Inhibitors; Nitric Oxide and Cell Stress. Besides, it is solid, which should be stored in closed containers in a cool, dry warehouse at -20 °C. In addition, its molecular formula is C30H44K2O16S2 and its molecular weight is 802.99.

The other characteristics of Atractyloside potassium salt can be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 16; (6)#H bond donors: 5; (7)#Freely Rotating Bonds: 14; (8)Rotatable Bond Count: 10; (9)Exact Mass: 802.134491; (10)MonoIsotopic Mass: 802.134491; (11)Topological Polar Surface Area: 272; (12)Heavy Atom Count: 50; (13)Complexity: 1440; (14)Polar Surface Area: 239.14 Å2; (15)solubility: H2O: 20 mg/mL.

When you are using this chemical, please be cautious about it as the following: it is toxic by inhalation, in contact with skin and if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Moreover, you should wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
(1)SMILES: [K+].[K+].[O-]S(=O)(=O)OC5C(OC(O[C@H]4C[C@]2(C)[C@H](CC[C@@]31[C@@H](O)/C(=C)C(CC[C@H]12)C3)[C@H](C(=O)O)C4)C(OC(=O)CC(C)C)C5OS([O-])(=O)=O)CO
(2)InChI: InChI=1/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16,17-,18-,19-,20,21+,23,24,25,26+,28,29-,30-;;/m1../s1
(3)InChIKey: IUCNQFHEWLYECJ-SUNGYXOLBG

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