CAS No.102130-43-8,ATRACTYLOSIDE POTASSIUM SALT Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	102130-43-8
Name:	ATRACTYLOSIDE POTASSIUM SALT

Formula:	C₃₀H₄₄K₂O₁₆S₂
Molecular Weight:	802.998
Synonyms:	Atractyloside potassium salt;Atractyloside, dipotassium salt, atractylis gummifera;
Solubility:	H₂O: 20 mg/mL
Appearance:	Solid
Hazard Symbols:	T
Risk Codes:	23/24/25
Safety:	36/37-45
Transport Information:	UN 2811
PSA:	272.14000
LogP:	3.14340

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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