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Spinosyn D

Spinosyn D structure

CAS No:
131929-63-0
Formula:
C42H67NO10
Chemical Name:
Spinosyn D
Synonyms:
1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione,2-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-4,14-dimethyl-,(2S,3aR,5aS,5bS,9S,13S,14R,16aS,16bS)-;(2S,3aR,5aS,5bS,9S,13S,14R,16aS,16bS)-2-[(6-Deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-4,14-dimethyl-1H-as-indaceno[3,2-d]oxacyclododecin-7,15-dione;A 83543D;Spinosyn D;Spinosad D
Categories:
Organic Chemistry > Lactones

Description

Spinosyn D is a spinosyn in which the sugar amino and hydroxy groups are globally methylated with an additional methyl substituent attached to the tetracyclic skeleton. One of the two active ingredients of spinosad. It has a role as a pediculicide. It is a spinosyn and a spinosyn insecticide.

Spinosyn D Basic Attributes

Molecular Weight：

731.95500

Exact Mass：

745.98

UNII：

78G4631RTT

DSSTox ID：

DTXSID3037599

Characteristics

PSA：

111.22000

XLogP3：

5.48740

Density：

1.15g/cm3

Boiling Point：

807.4ºC at 760mmHg

Flash Point：

442.1ºC

Refractive Index：

1.538

Vapor Pressure：

4.09E-26mmHg at 25°C

Collision Cross Section：

274.48 Å² [M+H]+

Safety Information

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 68 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Drug Information

MeSH Entry Terms：

spinosyn D

Spinosyn D Use and Manufacturing

Use Classification：

Insecticides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Spinosad has known environmental transformation products that include N-Demethyl-Spinosyn D and Spinosyn B.

Computed Properties

Molecular Weight:746.0
XLogP3:4.8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:745.47649733
Monoisotopic Mass:745.47649733
Topological Polar Surface Area:111
Heavy Atom Count:53
Complexity:1330
Defined Atom Stereocenter Count:17
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1H-as-Indaceno3,2-doxacyclododecin-7,15-dione, 2-(6-deoxy-2,3,4-tri-O-methyl-

CAS No.: 131929-63-0

Content: 99%

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