3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)
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![3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7f0927e678ae463da4e20026d99ca1da.png "3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)")
3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)
structure -
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CAS No:
85381-22-2
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Formula:
C44H39ClN5O9P.C6H15N
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Chemical Name:
3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)
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Synonyms:
3′-Adenylic acid,N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-,mono(2-chlorophenyl) ester,compd. with N,N-diethylethanamine (1:1);Ethanamine,N,N-diethyl-,2-chlorophenyl N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-3′-adenylate
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CAS No:
3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1) Basic Attributes
848.24
948.338
286-750-1
Safety Information
3
20/22-36/37/38
26
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:949.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:18
Exact Mass:948.3378420
Monoisotopic Mass:948.3378420
Topological Polar Surface Area:169
Heavy Atom Count:67
Complexity:1410
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)
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