Structure

Brincidofovir

CAS
444805-28-1
Catalog Number
ACM444805281
Category
Organophosphorus APIs
Molecular Weight
561.69
Molecular Formula
C27H52N3O7P

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Specification

IUPAC Name
3-(Hexadecyloxy)propyl hydrogen ((((S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonate
SMILES
OC[C@H](CN1C=CC(N)=NC1=O)OCP(O)(OCCCOCCCCCCCCCCCCCCCC)=O
InChI
InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1
InChI Key
WXJFKKQWPMNTIM-VWLOTQADSA-N
Solubility
Soluble in DMSO.
Color
White to off-white
Physical State
Solid

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