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VCCMVPDSLHFCBB-MSIRFHFKSA-N - CAS 136834-22-5

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Catalog Number: R073058

CAS Number: 136834-22-5

PubChem Substance ID:375736919

Molecular Formula: C47H51FN7O7P

Molecular Weight:875.939

Purity: ≥95%

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Molecular Formula: C47H51FN7O7P
Molecular Weight875.939
Purity≥95%

Computed Descriptor

IUPAC NameN-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]purin-6-yl]benzamide
InChIInChI=1S/C47H51FN7O7P/c1-31(2)55(32(3)4)63(60-27-13-26-49)62-42-39(61-46(40(42)48)54-30-52-41-43(50-29-51-44(41)54)53-45(56)33-14-9-7-10-15-33)28-59-47(34-16-11-8-12-17-34,35-18-22-37(57-5)23-19-35)36-20-24-38(58-6)25-21-36/h7-12,14-25,29-32,39-40,42,46H,13,27-28H2,1-6H3,(H,50,51,53,56)/t39-,40-,42-,46-,63?/m1/s1
InChIKeyVCCMVPDSLHFCBB-MSIRFHFKSA-N
SMILESCC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1F)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC