AG0083CU

110764-72-2 | N6-BENZOYL-5'-(DIMETHOXYTRITYL)-2'-O-METHYLADENOSINE

AG0083CU

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CAS Number	110764-72-2
Catalog Number	AG0083CU(AGN-PC-0P14MP)
Chemical Name	N6-BENZOYL-5'-(DIMETHOXYTRITYL)-2'-O-METHYLADENOSINE
IUPAC Name	N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
InChI	InChI=1S/C39H37N5O7/c1-47-29-18-14-27(15-19-29)39(26-12-8-5-9-13-26,28-16-20-30(48-2)21-17-28)50-22-31-33(45)34(49-3)38(51-31)44-24-42-32-35(40-23-41-36(32)44)43-37(46)25-10-6-4-7-11-25/h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40,41,43,46)/t31-,33-,34-,38-/m1/s1
InChI Key	SARHDAQOZNKZCC-CJEGOSRCSA-N
MDL Number	MFCD08704196
Molecular Formula	C39H37N5O7
Molecular Weight	687.7404
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]3OC)C2=NC=N1)C7=CC=CC=C7
Synonyms	110764-72-2, N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide, N-Benzoyl-5'-O-[bis(4-methoxyphenyl)-phenylmethyl]-2'-O-methyl-adenosine, N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-adenosine, 5'-O-DMT-N6-BENZOYL-2'-O-METHYL-ADENOSINE, SCHEMBL6513309, ANW-64059, HG1283, MFCD08704196, AKOS016003794, ZINC150348988, AS-49388, TC-152804, ST24048442, 5-O-DMT-N6-BENZOYL-2-O-METHYL-ADENOSINE, J-700104, J-700130, N6-BENZOYL-5'-(DIMETHOXYTRITYL)-2'-O-METHYLADENOSINE, N6-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-O-methyladenosine, 5'-O-(4,4'-Dimethoxytrityl)-N6-benzoyl-2'-O-methyl adenosine, SARHDAQOZNKZCC-CJEGOSRCSA-N, CID10770884, CID 10770884,

Complexity	1070
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	687.269g/mol
Formal Charge	0
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	687.753g/mol
Monoisotopic Mass	687.269g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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