Cinchonan-9-ol, (8α,9R)-, mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt)
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phosphinyl]acetate] (salt) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/515ea020122449be9247754517dfe7e3.png "Cinchonan-9-ol, (8α,9R)-, mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt)")
Cinchonan-9-ol, (8α,9R)-, mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt)
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CAS No:
137590-32-0
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Formula:
C19H29O6P.C19H22N2O
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Chemical Name:
Cinchonan-9-ol, (8α,9R)-, mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt)
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Synonyms:
Cinchonan-9-ol,(8α,9R)-,mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt);Cinchonan-9-ol,(8α,9R)-,mono[[R-(R*,S*)]-[[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt);Acetic acid,[[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]-,[R-(R*,S*)]-,compd. with (8α,9R)-cinchonan-9-ol (1:1);Acetic acid,[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]-,compd. with (8α,9R)-cinchonan-9-ol (1:1)
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CAS No:
Cinchonan-9-ol, (8α,9R)-, mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt) Basic Attributes
678.8
678.34300
415-820-8
Safety Information
41-43-52/53
24-26-37/39-61
Xi
|Danger|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, and P501|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 9 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:678.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:16
Exact Mass:678.34338897
Monoisotopic Mass:678.34338897
Topological Polar Surface Area:126
Heavy Atom Count:48
Complexity:897
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Cinchonan-9-ol, (8α,9R)-, mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate] (salt)
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