AG002C7W

199593-08-3 | N4-Acetyl-5'-(dimethoxytrityl)-2'-o-methylcytidine

AG002C7W

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CAS Number	199593-08-3
Catalog Number	AG002C7W(AGN-PC-0QQQ9P)
Chemical Name	N4-Acetyl-5'-(dimethoxytrityl)-2'-o-methylcytidine
IUPAC Name	N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
InChI	InChI=1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30(42-4)29(38)27(44-31)20-43-33(22-8-6-5-7-9-22,23-10-14-25(40-2)15-11-23)24-12-16-26(41-3)17-13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/t27-,29-,30-,31-/m1/s1
InChI Key	FINUHOJILDNELQ-PMFUCWTESA-N
MDL Number	MFCD08704192
Molecular Formula	C33H35N3O8
Molecular Weight	601.6463
SMILES	CC(NC(C=CN1[C@@H]2O[C@H](COC(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5)[C@@H](O)[C@H]2OC)=NC1=O)=O
Synonyms	199593-08-3, N-Acetyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-cytidine, N4-Acetyl-5'-O-DMT-2'-O-methylcytidine, N-(1-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide, N-Acetyl-5'-O-[bis(4-methoxyphenyl)-phenylmethyl]-2'-O-methyl-cytidine, 5'-O-DMT-N4-ACETYL-2'-O-METHYL-CYTIDINE, N4-ACETYL-5'-(DIMETHOXYTRITYL)-2'-O-METHYLCYTIDINE, SCHEMBL17090823, CTK8C0077, DTXSID20743381, C33H35N3O8, 0261AB, ANW-64056, HG1337, MFCD08704192, AKOS016003807, ZINC100035691, AK-54695, RT-023492, ST24048253, 5-O-DMT-N4-ACETYL-2-O-METHYL-CYTIDINE, K-5837, J-700127, J-700318, N4-Acetyl-5'-O-(4,4'-dimethoxytrityl)-2'-O-methylcytidine, Cytidine, N-acetyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-, N-Acetyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-O-methylcytidine, FINUHOJILDNELQ-PMFUCWTESA-N, 5'-ODMT 2'-OMe N-Ac Cytidine,

Complexity	1010
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	601.242g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	601.656g/mol
Monoisotopic Mass	601.242g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	128A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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