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(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone

(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone structure

CAS No:
104872-06-2
Formula:
C22H42O3
Chemical Name:
(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone
Synonyms:
2-Oxetanone,3-hexyl-4-[(2R)-2-hydroxytridecyl]-,(3S,4S)-;2-Oxetanone,3-hexyl-4-(2-hydroxytridecyl)-,[3S-[3α,4β(S*)]]-;(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone
Categories:
Analytical Chemistry > Standard

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(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone Basic Attributes

Molecular Weight：

354.57

Exact Mass：

354.57

EC Number：

418-650-2

UNII：

BJV8QU12YI

DSSTox ID：

DTXSID90146800

HScode：

2932206000

Characteristics

PSA：

46.5

XLogP3：

6.17030

Density：

0.935

Melting Point：

61-62 °C

Boiling Point：

467.9±18.0 °C(Predicted)

Flash Point：

176.2ºC

Refractive Index：

1.467

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

50/53

safety instructions：

60-61

Marks：

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H410

GHS Classification：

|Warning|H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone Use and Manufacturing

(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone is an analog of Tetrahydrolipstatin, an inhibitor of the hydrolysis of endocannabinoid 2-arachidonoylglycerol (2-AG), also an intermediate in the preparation of Orlistat (O686500).

Computed Properties

Molecular Weight:354.6
XLogP3:8.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:17
Exact Mass:354.31339520
Monoisotopic Mass:354.31339520
Topological Polar Surface Area:46.5
Heavy Atom Count:25
Complexity:329
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone

Nanjing Paron Technology Co., Ltd Contact Supplier

CN
YRS

Business licensed Certified factory

Manufactory Supplier of chemicals

(3S,4S)-3-HEXYL-4-[(R)-2-(HYDROXYTRIDECYL)]OXETAN-2-ONE high quality

Unit Price: $1-1.3 /G FOB

CAS No.: 104872-06-2

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Guide of (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone

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

(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone

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