(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone
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![(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c06e27fe7f094748be46214976f8bc6a.png "(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone")
(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone
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CAS No:
104872-06-2
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Formula:
C22H42O3
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Chemical Name:
(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone
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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
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CAS No:
(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone Basic Attributes
354.57
354.57
418-650-2
BJV8QU12YI
DTXSID90146800
2932206000
Safety Information
NONH for all modes of transport
50/53
60-61
N
P273, P391, P501
H410
|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
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CN
6 YRS
Business licensed Certified factoryManufactory Supplier of chemicalsInquiryUnit Price: $1-1.3 /G FOBCAS No.: 104872-06-2
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(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone
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