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Thymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-, 3'-(hydrogen phosphonothioate), compd. with N,N-diethylethanamine (1:1)

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Catalog No. : NC20001

CAS No. : 225108-20-3

Product Level :

Brand : NewCan Bio

Molecular Formula : C₃₇H₄₈N₃O₈PS

Chemical Name : Thymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-, 3'-(hydrogen phosphonothioate), compd. with N,N-diethylethanamine (1:1)

Molecular Weight : 725.83

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Basic information

Standard English name
Cas No.	225108-20-3
Alias
Canonical Smiles	CC1=CN([C@H]2C[C@H](OP(O)=S)[C@@H](COC(C3=CC=CC=C3)(C3=CC=C(C=C3)OC)C3=CC=C(C=C3)OC)O2)C(=O)NC1=O.CCN(CC)CC
MDL No.
Exact Mass	725.28997
Smiles	O=C(NC(C(C)=C1)=O)N1[C@H](O2)C[C@H](OP(O)=S)[C@H]2COC(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5.CCN(CC)CC

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Inchi	InChI=1S/C31H33N2O8PS.C6H15N/c1-20-18-33(30(35)32-29(20)34)28-17-26(41-42(36)43)27(40-28)19-39-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23;1-4-7(5-2)6-3/h4-16,18,26-28,42H,17,19H2,1-3H3,(H,36,43)(H,32,34,35);4-6H2,1-3H3/t26-,27+,28+;/m0./s1
InchiKey	MLUVDKULGJZEOJ-PVVUSECVSA-N
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