1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-5-methyl-2(1H)-pyrimidinone

CAS Registry Number®

125258-62-0
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CAS Name

1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-5-methyl-2(1H)-pyrimidinone

Molecular Formula

C40H49N4O7P

Molecular Mass

728.81

Cite this Page

1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-5-methyl-2(1H)-pyrimidinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125258-62-0 (retrieved 2024-09-07) (CAS RN: 125258-62-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H49N4O7P/c1-28(2)44(29(3)4)52(49-23-11-22-41)51-36-24-38(43-26-30(5)25-42-39(43)45)50-37(36)27-48-40(31-12-9-8-10-13-31,32-14-18-34(46-6)19-15-32)33-16-20-35(47-7)21-17-33/h8-10,12-21,25-26,28-29,36-38H,11,23-24,27H2,1-7H3/t36-,37+,38+,52?/m0/s1

InChIKey

InChIKey=IVZVCEADSAZPGG-VAVRNPHNSA-N

SMILES

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)C[C@@H](O1)N2C(=O)N=CC(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5

Canonical SMILES

N#CCCOP(OC1CC(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=C(C=NC5=O)C)N(C(C)C)C(C)C

Other Names for this Substance

  • 2(1H)-Pyrimidinone, 1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-5-methyl-
  • 1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-5-methyl-2(1H)-pyrimidinone