Structure

2'-OMe-A(Bz) Phosphoramidite

CAS
110782-31-5
Catalog Number
ACM110782315-1
Category
Amidites
Molecular Weight
887.96
Molecular Formula
C48H54N7O8P

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Specification

Synonyms
(2R,3R,4R,5R)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-methoxytetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
IUPAC Name
N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
SMILES
CC(N(C(C)C)P(O[C@@H]1[C@@H](COC(C2=CC=C(OC)C=C2)(C3=CC=C(OC)C=C3)C4=CC=CC=C4)O[C@@H](N5C=NC6=C(NC(C7=CC=CC=C7)=O)N=CN=C56)[C@@H]1OC)OCCC#N)C
InChI
1S/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7)54-31-52-41-44(50-30-51-45(41)54)53-46(56)34-15-10-8-11-16-34)29-60-48(35-17-12-9-13-18-35,36-19-23-38(57-5)24-20-36)37-21-25-39(58-6)26-22-37/h8-13,15-26,30-33,40,42-43,47H,14,28-29H2,1-7H3,(H,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1
InChI Key
AZCGOTUYEPXHMJ-PSVHYZMASA-N
Storage
Sealed in dry, 2-8°C
Complexity
1430
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Defined Bond Stereocenter Count
0
EC Number
892-124-4
Formal Charge
0
H-Bond Acceptor
13
H-Bond Donor
1
Heavy Atom Count
64
Isomeric SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
MDL Number
MFCD00792622
PubChem ID
13872235
Rotatable Bond Count
20
Undefined Atom Stereocenter Count
1
Undefined Bond Stereocenter Count
0

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