AG00F9XH

68892-41-1 | 5'-O-Dimethoxytrityl-N-isobutyryl-deoxyguanosine

AG00F9XH

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CAS Number	68892-41-1
Catalog Number	AG00F9XH(AGN-PC-0TTYV9)
Chemical Name	5'-O-Dimethoxytrityl-N-isobutyryl-deoxyguanosine
EC Number	272-615-4
IUPAC Name	N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
InChI	InChI=1S/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1
InChI Key	RMQXDNUKLIDXOS-ZGIBFIJWSA-N
MDL Number	MFCD00010059
Molecular Formula	C35H37N5O7
Molecular Weight	639.6976
SMILES	O[C@@H](C[C@H](N1C=NC2=C1N=C(NC(C(C)C)=O)NC2=O)O3)[C@H]3COC(C4=CC=C(OC)C=C4)(C5=CC=CC=C5)C6=CC=C(OC)C=C6
Synonyms	68892-41-1, iBu-DMT-dG, DMT-N-IB-DG, N2-Isobutyryl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosine, MFCD00010059, 2'-Deoxy-5'-O-DMT-N2-isobutyrylguanosine, 5'-O-Dimethoxytrityl-N-isobutyryl-deoxyguanosine, Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)-, Guanosine, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-N-(2-methyl-1-oxopropyl)-, AK-54683, EINECS 272-615-4, KSC912C7F, AC1MC528, SCHEMBL2281663, DTXSID1074965, CTK8B2172, RMQXDNUKLIDXOS-ZGIBFIJWSA-N, ZINC4261984, ANW-35563, AKOS015837181, AKOS015895625, CS-W011418, 5'-O-(Bis(4-methoxyphenyl)benzyl)-2'-deoxy-N-(2-methyl-1-oxopropyl)guanosine, DS-14582, SC-62536, FT-0625551, I0697, 892D411, A836283, 2'-DEOXY-5'-O-DMT-N2-ISOBUTYRYL-D-GUANOSINE, n2-isobutyryl-5-o-(4,4-dimethoxytrityl)-2-deoxyguanosine, 2'-Deoxy-5'-O-(4,4'-dimethoxytrityl)-N-isobutyrylguanosine, 5'-O-(4,4'-DIMETHOXYTRITYL)-N2-ISOBUTYRYL-2'-DEOXY, 5'-O-(4,4'-Dimethoxytrityl)-N2-isobutyryl-2'-deoxyguanosine, N2-Isobutyryl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosine, ~98%, N-(9-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide, N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide, N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide, N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide, N2-Isobutyryl-5 inverted exclamation marka-O-(4,4 inverted exclamation marka-dimethoxytrityl)-2 inverted exclamation marka-deoxyguanosine, C35H37N5O7, ZINC04261984, C35-H37-N5-O7, CID2724504, 5-O-(4,4-Dimethoxytrityl)-N2-Isobutyryl-2-Deoxyguanosine, 5'-O-[bis(4-methoxyphenyl)benzyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)guanosine, Guanosine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)-,

Complexity	1080
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	639.269g/mol
Formal Charge	0
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	639.709g/mol
Monoisotopic Mass	639.269g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	146A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number