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210107-39-4 | Uridine, 2'-deoxy-5-[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]- (9CI)
CAS No: 210107-39-4 Catalog No: AG002KL8 MDL No:
Product Description
Catalog Number:
AG002KL8
Chemical Name:
Uridine, 2'-deoxy-5-[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]- (9CI)
CAS Number:
210107-39-4
Molecular Formula:
C17H15F3N4O5
Molecular Weight:
412.3200
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]pyrimidine-2,4-dione
InChI:
InChI=1S/C17H15F3N4O5/c18-17(19,20)16(22-23-16)9-3-1-8(2-4-9)10-6-24(15(28)21-14(10)27)13-5-11(26)12(7-25)29-13/h1-4,6,11-13,25-26H,5,7H2,(H,21,27,28)/t11-,12+,13+/m0/s1
InChI Key:
GTCQKELZFZJEFP-YNEHKIRRSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2ccc(cc2)C2(N=N2)C(F)(F)F)c(=O)[nH]c1=O
Properties
Complexity:
757
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
412.099g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
412.325g/mol
Monoisotopic Mass:
412.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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