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132062-66-9 | 2(1H)-Pyrimidinone, 4-amino-5-bromo-1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-, (2R-cis)- (9CI)
CAS No: 132062-66-9 Catalog No: AG00104R MDL No:
Product Description
Catalog Number:
AG00104R
Chemical Name:
2(1H)-Pyrimidinone, 4-amino-5-bromo-1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-, (2R-cis)- (9CI)
CAS Number:
132062-66-9
Molecular Formula:
C9H12BrN3O4
Molecular Weight:
306.1133
IUPAC Name:
4-amino-5-bromo-1-[(2R,6R)-6-(hydroxymethyl)-1,4-dioxan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H12BrN3O4/c10-6-1-13(9(15)12-8(6)11)7-4-16-3-5(2-14)17-7/h1,5,7,14H,2-4H2,(H2,11,12,15)/t5-,7-/m1/s1
InChI Key:
HRCWMZUTNXSPJT-IYSWYEEDSA-N
SMILES:
Nc1nc(=O)n(cc1Br)[C@H]1COC[C@H](O1)CO
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
305.001g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.116g/mol
Monoisotopic Mass:
305.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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