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ethyl 2-(2-methyl-3-octadeca-9,12,15-trienoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate

ethyl 2-(2-methyl-3-octadeca-9,12,15-trienoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate structure

CAS No:
100565-92-2
Formula:
C28H42N4O3S
Chemical Name:
ethyl 2-(2-methyl-3-octadeca-9,12,15-trienoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate
Synonyms:
ETHYL 2-[[8-METHYL-9-[(9E,12E,15E)-OCTADECA-9,12,15-TRIENOXY]-2,4,7,8-TETRAZABICYCLO[4.3.0]NONA-2,4,6,9-TETRAEN-5-YL]SULFANYL]ACETATE; Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI); ethyl 2-[2-methyl-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate;

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ethyl 2-(2-methyl-3-octadeca-9,12,15-trienoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Basic Attributes

Molecular Weight：

514.72300

Exact Mass：

514.29776239

Characteristics

PSA：

104.43000

XLogP3：

6.98680

Density：

1.08g/cm3

Boiling Point：

649ºC at 760mmHg

Flash Point：

346.3ºC

Refractive Index：

1.549

Vapor Pressure：

1E-16mmHg at 25°C

Computed Properties

Molecular Weight:514.7
XLogP3:7.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:20
Exact Mass:514.29776239
Monoisotopic Mass:514.29776239
Topological Polar Surface Area:104
Heavy Atom Count:36
Complexity:673
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-(2-methyl-3-octadeca-9,12,15-trienoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

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