Spinosad (168316-95-8)

Identification
Name:	Spinosad
Synonyms:	Conserve;Entrust;GF 120;GF 120 Fruit Fly Bait;GF 120 NF Naturalyte;GF 120 NaturalyteFruit Fly Bait;Gardens Alive Bulls-Eye;LY 232105;Laser (insecticide);Naturalyte;PP 105;SpinTor;Spinoace;Spinosad NT;Spinosyn A-spinosyn Dmixt.;Success;Success Naturalyte;Tracer;Tracer Naturalyte;XDE 105;
CAS:	168316-95-8
Molecular Formula:	C₄₁H₆₅NO₁₀
Molecular Weight:	1477.96
InChI:	InChI=1/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42;1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3;14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+;22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m11/s1
Molecular Structure:
Properties
Transport:	UN3077 9/PG 3
Melting Point:	84 C to 99.5 C
Flash Point:	°C
Boiling Point:	°Cat760mmHg
Density:	g/cm³
Solubility:	Water = 89.4 ppm (Spinosyn A) and 0.495 ppm (Spinosyn D); acetone - 16.8 g/ml (Spinosyn A) and 1.01 g/ml (Spinosyn D); methanol - 19.0 g/ml (Spinosyn A) and 0.252 g/ml (Spinosyn D)
Appearance:	almost white powder
Specification:	With the CAS registry number 168316-95-8, Spinosad is also named as Tracer Naturalyte. The product's categories are miscellaneous natural products; insecticides; pesticides. It is almost white powder which is moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NO_x. This chemical should be stored at the temperature of 0-6 °C. The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 11; (3)Rotatable Bond Count: 9; (4)Tautomer Count: 10; (5)Exact Mass: 731.460847; (6)MonoIsotopic Mass: 731.460847; (7)Topological Polar Surface Area: 111; (8)Heavy Atom Count: 52; (9)Formal Charge: 0; (10)Complexity: 1290; (11)Defined Atom StereoCenter Count: 16; (12)Undefined Atom StereoCenter Count: 1; (13)Covalently-Bonded Unit Count: 1. Uses of Spinosad: It is a thorn sugar soil actinomycete Saccharopolyspora prickly bacteria (Saccharopolyspora spinosa) , producing secondary metabolites, and is a kind of tag out and feeding toxicity of broad-spectrum insecticide. It has no phytotoxicity to plant and is suitable for vegetables, fruit trees, gardening, crops. People can use the following data to convert to the molecule structure. 1. Smiles:C1([C@@H]2[C@@H]([C@@H]3CC[C@@H]4[C@@H]([C@@H]3C2)C[C@@H](O[C@@H]2[C@@H]([C@@H](OC)[C@@H]([C@@H](C2)C)OC)OC)C4)CC(O[C@@H](CC)CCC[C@@H]([C@@H]1C)O[C@@H]1O[C@@H](C)[C@@H](CC1)N(C)C)=O)=O 2. InChI:InChI=1S/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42;1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3;14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42+;22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34,36+,38+,39-,40-,41+/m11/s1
Flash Point:	°C
Storage Temperature:	0-6°C
Color:	Light grey to white crystals
Safety Data

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spinosad