 Home > Encyclopedia > Methyl (3aR,4R,7aR)-3a,7a-dihydro-2-methyl-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-4H-pyrano[3,4-d]oxazole-6-carboxylate

Methyl (3aR,4R,7aR)-3a,7a-dihydro-2-methyl-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-4H-pyrano[3,4-d]oxazole-6-carboxylate

Methyl (3aR,4R,7aR)-3a,7a-dihydro-2-methyl-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-4H-pyrano[3,4-d]oxazole-6-carboxylate structure

CAS No:
78850-37-0
Formula:
C18H23NO10
Chemical Name:
Methyl (3aR,4R,7aR)-3a,7a-dihydro-2-methyl-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-4H-pyrano[3,4-d]oxazole-6-carboxylate
Synonyms:
4H-Pyrano[3,4-d]oxazole-6-carboxylic acid,3a,7a-dihydro-2-methyl-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-,methyl ester,(3aR,4R,7aR)-;4H-Pyrano[3,4-d]oxazole-6-carboxylic acid,3a,7a-dihydro-2-methyl-4-[1,2,3-tris(acetyloxy)propyl]-,methyl ester,[3aR-[3aα,4α(1S*,2R*),7aα]]-;Methyl (3aR,4R,7aR)-3a,7a-dihydro-2-methyl-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-4H-pyrano[3,4-d]oxazole-6-carboxylate;878284-86-7

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Methyl (3aR,4R,7aR)-3a,7a-dihydro-2-methyl-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-4H-pyrano[3,4-d]oxazole-6-carboxylate Basic Attributes

Molecular Weight：

413.38

Exact Mass：

413.38

EC Number：

415-670-3

DSSTox ID：

DTXSID10551159

Characteristics

PSA：

136.02000

XLogP3：

-0.51000

Density：

1.40±0.1 g/cm3

Boiling Point：

469.5±45.0 °C(Predicted)

Flash Point：

170.889ºC

Refractive Index：

1.555

PKA：

4.56±0.60

Safety Information

hazard class code：

safety instructions：

26-39

Marks：

GHS Classification：

|Danger|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Methyl (3aR,4R,7aR)-3a,7a-dihydro-2-methyl-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-4H-pyrano[3,4-d]oxazole-6-carboxylate Use and Manufacturing

methyl (3aR,4R,7aR)-2-methyl-4-(1S,2R,3-triacetoxypropyl)-3a,7a-dihydro-4H-pyrano[3,4-d]oxazole-6-carboxylate is an intermediate used in the preparation of Zanamivir derivatives.

Computed Properties

Molecular Weight:413.4
XLogP3:-0.1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:413.13219593
Monoisotopic Mass:413.13219593
Topological Polar Surface Area:136
Heavy Atom Count:29
Complexity:743
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl (3aR,4R,7aR)-3a,7a-dihydro-2-methyl-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-4H-pyrano[3,4-d]oxazole-6-carboxylate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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