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130290-63-0 | Uridine, 2'-deoxy-2'-(difluoromethylene)- (9CI)
CAS No: 130290-63-0 Catalog No: AG000U8V MDL No:
Product Description
Catalog Number:
AG000U8V
Chemical Name:
Uridine, 2'-deoxy-2'-(difluoromethylene)- (9CI)
CAS Number:
130290-63-0
Molecular Formula:
C10H10F2N2O5
Molecular Weight:
276.1936
IUPAC Name:
1-[(2R,4S,5R)-3-(difluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C10H10F2N2O5/c11-8(12)6-7(17)4(3-15)19-9(6)14-2-1-5(16)13-10(14)18/h1-2,4,7,9,15,17H,3H2,(H,13,16,18)/t4-,7-,9-/m1/s1
InChI Key:
CELRQQYXBYGDLH-BTDYQHFOSA-N
SMILES:
OC[C@H]1O[C@H](C(=C(F)F)[C@@H]1O)n1ccc(=O)[nH]c1=O
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
276.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.196g/mol
Monoisotopic Mass:
276.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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