AG0036FW

81246-82-4 | 5'-O-(4,4'-Dimethoxytrityl)-N6-benzoyl-adenosine

AG0036FW

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CAS Number	81246-82-4
Catalog Number	AG0036FW(AGN-PC-0OIIJ5)
Chemical Name	5'-O-(4,4'-Dimethoxytrityl)-N6-benzoyl-adenosine
IUPAC Name	N-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]benzamide
InChI	InChI=1S/C38H35N5O7/c1-47-28-17-13-26(14-18-28)38(25-11-7-4-8-12-25,27-15-19-29(48-2)20-16-27)49-21-30-32(44)33(45)37(50-30)43-23-41-31-34(39-22-40-35(31)43)42-36(46)24-9-5-3-6-10-24/h3-20,22-23,30,32-33,37,44-45H,21H2,1-2H3,(H,39,40,42,46)/t30-,32-,33-,37-/m1/s1
InChI Key	QPHBEJADZCSKCY-GONXPTGJSA-N
MDL Number	MFCD00797466
Molecular Formula	C38H35N5O7
Molecular Weight	673.7138
SMILES	COC1=CC=C(C(C2=CC=C(C=C2)OC)(C2=CC=CC=C2)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N2C=NC=3C(NC(C4=CC=CC=C4)=O)=NC=NC23)O)O)C=C1
Synonyms	81246-82-4, 5'-DMT-Bz-rA, N6-Benzoyl-5'-O-DMT-adenosine, 5'-O-(4,4'-Dimethoxytrityl)-N6-benzoyl-adenosine, Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-, 5'-O-(4,4'-Dimethoxytrityl)-N6-benzoyladenosine, 5'-dmt-ribo adenosine (n-bz), QPHBEJADZCSKCY-GONXPTGJSA-N, AK163034, 5'-O-(4,4'-DiMethoxytrityl)-N6-benzoyl adenosine, SCHEMBL917678, 5'-O-DMTr-N6-benzoyladenosine, C38H35N5O7, CS-D1777, 5898AH, MFCD00797466, AKOS024462454, ZINC150346886, CD-1852, DS-7944, FT-0772847, ST24044018, A-8525, 246D824, J-700366, N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]adenosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-N6-benzoyladenosine, N-(9-((2R,3R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide, N-{9-[(2R,3R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3,4-dihydroxyoxolan-2-yl]-9H-purin-6-yl}benzamide, 5'-DMT-RIBOADENOSINE, 5'-O-dimethoxytrityl-N6-benzoyl adenosine,

Complexity	1050
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	673.254g/mol
Formal Charge	0
Heavy Atom Count	50
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	673.726g/mol
Monoisotopic Mass	673.254g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	150A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

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

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