β-D-arabino-Adenosine, 2′-O-acetyl-N-benzoyl-P-(2-cyanoethyl)-5′-O-[(4-methoxyphenyl)diphenylmethyl]-β-D-arabino-adenylyl-(3′→5′)-N-benzoyl-, 2′,3′-diacetate (9CI),122591-42-8-Amadis Chemical

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[CAS No.122591-42-8] A1253946 β-D-arabino-Adenosine, 2′-O-acetyl-N-benzoyl-P-(2-cyanoethyl)-5′-O-[(4-methoxyphenyl)diphenylmethyl]-β-D-arabino-adenylyl-(3′→5′)-N-benzoyl-, 2′,3′-diacetate (9CI) 97%

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Catalog No.: A1253946

Cas No.: 122591-42-8

Molecular Formula: C₆₃H₅₈N₁₁O₁₆P

Molecular Weight: 1,256.17

MDL NO:

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Product Details [122591-42-8]

Synonyms: β-D-arabino-Adenosine, 2′-O-acetyl-N-benzoyl-P-(2-cyanoethyl)-5′-O-[(4-methoxyphenyl)diphenylmethyl]-β-D-arabino-adenylyl-(3′→5′)-N-benzoyl-, 2′,3′-diacetate (9CI)

Appearance:

Storage: Store in 2-8°C for long term (months)

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Pubchem ID:

Smiles: C(OC[C@@H]1[C@@H](OP(OC[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](O2)N3C=4C(N=C3)=C(NC(=O)C5=CC=CC=C5)N=CN4)(OCCC#N)=O)[C@H](OC(C)=O)[C@@H](O1)N6C=7C(N=C6)=C(NC(=O)C8=CC=CC=C8)N=CN7)(C9=CC=C(OC)C=C9)(C%10=CC=CC=C%10)C%11=CC=CC=C%11

InchiKey: OJEGQKDBIJKDPY-VFCHQZKHSA-N

Inchi: InChI=1S/C63H58N11O16P/c1-38(75)85-51-48(89-61(53(51)86-39(2)76)73-36-69-49-55(65-34-67-57(49)73)71-59(78)41-18-9-5-10-19-41)33-84-91(80,83-31-17-30-64)90-52-47(32-82-63(43-22-13-7-14-23-43,44-24-15-8-16-25-44)45-26-28-46(81-4)29-27-45)88-62(54(52)87-40(3)77)74-37-70-50-56(66-35-68-58(50)74)72-60(79)42-20-11-6-12-21-42/h5-16,18-29,34-37,47-48,51-54,61-62H,17,31-33H2,1-4H3,(H,65,67,71,78)(H,66,68,72,79)/t47-,48-,51-,52-,53+,54+,61-,62-,91?/m1/s1

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