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127559-73-3 | 2,4(1H,3H)-Pyrimidinedione, 1-[[2-azido-1-(hydroxymethyl)ethoxy]methyl]-5-methyl-, (S)- (9CI)
CAS No: 127559-73-3 Catalog No: AG000X6F MDL No:
Product Description
Catalog Number:
AG000X6F
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[[2-azido-1-(hydroxymethyl)ethoxy]methyl]-5-methyl-, (S)- (9CI)
CAS Number:
127559-73-3
Molecular Formula:
C9H13N5O4
Molecular Weight:
255.2306
IUPAC Name:
1-[(1-azido-3-hydroxypropan-2-yl)oxymethyl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C9H13N5O4/c1-6-3-14(9(17)12-8(6)16)5-18-7(4-15)2-11-13-10/h3,7,15H,2,4-5H2,1H3,(H,12,16,17)
InChI Key:
QHHGZUNIBSYYTP-UHFFFAOYSA-N
SMILES:
OC[C@H](CN=[N+]=[N-])OCn1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.234g/mol
Monoisotopic Mass:
255.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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