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101527-46-2 | Thymidine, α,α-difluoro- (9CI)
CAS No: 101527-46-2 Catalog No: AG0004QJ MDL No:
Product Description
Catalog Number:
AG0004QJ
Chemical Name:
Thymidine, α,α-difluoro- (9CI)
CAS Number:
101527-46-2
Molecular Formula:
C10H12F2N2O5
Molecular Weight:
278.2095
IUPAC Name:
5-(difluoromethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C10H12F2N2O5/c11-8(12)4-2-14(10(18)13-9(4)17)7-1-5(16)6(3-15)19-7/h2,5-8,15-16H,1,3H2,(H,13,17,18)/t5-,6+,7+/m0/s1
InChI Key:
YATQDPXPMDMPID-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C(F)F)c(=O)[nH]c1=O
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
278.071g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.212g/mol
Monoisotopic Mass:
278.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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