AG000F4X

114745-26-5 | Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)-

AG000F4X

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CAS Number	114745-26-5
Catalog Number	AG000F4X(AGN-PC-0P6OKK)
Chemical Name	Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)-
IUPAC Name	N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
InChI	InChI=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35)37-20-41(31)34-30(47-5)29(42)27(49-34)19-48-36(22-9-7-6-8-10-22,23-11-15-25(45-3)16-12-23)24-13-17-26(46-4)18-14-24/h6-18,20-21,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40,43,44)/t27-,29-,30-,34-/m1/s1
InChI Key	ISQLJOGRNUQHJX-WIFIACMTSA-N
MDL Number	MFCD09842119
Molecular Formula	C36H39N5O8
Molecular Weight	669.7236
SMILES	CO[C@@H]1[C@H](O)[C@@H](COC(C2=CC=CC=C2)(C2=CC=C(OC)C=C2)C2=CC=C(OC)C=C2)O[C@H]1N1C=NC2=C1N=C(NC(=O)C(C)C)NC2=O
Synonyms	114745-26-5, 5'-O-DMT-N2-Isobutyryl-2'-O-methyl-D-guanosine, N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide, 5'-O-DMT-N2-ISOBUTYRYL-2'-O-METHYL-GUANOSINE, SCHEMBL1582054, CTK8C0078, DTXSID80566639, C36H39N5O8, 2431AA, ANW-64058, HG1313, ZINC150348989, AS-49389, 5-O-DMT-N2-ISOBUTYRYL-2-O-METHYL-GUANOSINE, J-700125, 5'-O-(4,4'-Dimethoxytrityl)-N2-isobutyryl-2'-O-methylguanosine, 5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-O-methyl-N-(2-methylpropanoyl)guanosine, Guanosine,5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)-, ISQLJOGRNUQHJX-WIFIACMTSA-N, MFCD09842119,

Complexity	1130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	669.28g/mol
Formal Charge	0
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	669.735g/mol
Monoisotopic Mass	669.28g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	155A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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

Certificate of Analysis

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