AG00C2XI

251647-48-0 | N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)adenosine

AG00C2XI

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CAS Number	251647-48-0
Catalog Number	AG00C2XI(AGN-PC-0R0WOZ)
Chemical Name	N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)adenosine
IUPAC Name	N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]purin-6-yl]benzamide
InChI	InChI=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34)46)45-39(48)27-10-6-4-7-11-27)24-53-41(28-12-8-5-9-13-28,29-14-18-31(50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2,1-3H3,(H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChI Key	KEVMXGNDTKPSMC-MUMPVVMASA-N
MDL Number	MFCD14586330
Molecular Formula	C41H41N5O8
Molecular Weight	731.7929
SMILES	O=C(NC1=C2N=CN([C@@H]3O[C@H](COC(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6)[C@@H](O)[C@H]3OCCOC)C2=NC=N1)C7=CC=CC=C7
Synonyms	251647-48-0, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)Adenosine, N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-(2-methoxyethoxy)tetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide, N-benzoyl-5'-O-DMTr-2'-O-(2-methoxyethyl)-adenosine, N-Benzoyl-5'-o-(bis(4-methoxyphenyl)phenylmethyl)-2'-o-(2-methoxyethyl)adenosine, SCHEMBL1040958, CTK4F5107, DTXSID00610825, MFCD14586330, AKOS025401693, ZINC150339667, AC-24672, AS-46877, DB-067329, N-benzoyl-5-O-DMTr-2-O-(2-methoxyethyl)-Adenosine, N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-O-(2-methoxyethyl)adenosine, ADENOSINE, N-BENZOYL-5'-O-[BIS(4-METHOXYPHENYL)PHENYLMETHYL]-2'-O-(2-METHOXYETHYL)- (9CI), KEVMXGNDTKPSMC-MUMPVVMASA-N,

Complexity	1120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	731.296g/mol
Formal Charge	0
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	731.806g/mol
Monoisotopic Mass	731.296g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	148A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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