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102306-99-0 | 5'-Uridylic acid, 5-(3-amino-1-propen-1-yl)-2'-deoxy-
CAS No: 102306-99-0 Catalog No: AG00076D MDL No:
Product Description
Catalog Number:
AG00076D
Chemical Name:
5'-Uridylic acid, 5-(3-amino-1-propen-1-yl)-2'-deoxy-
CAS Number:
102306-99-0
Molecular Formula:
C12H18N3O8P
Molecular Weight:
363.2604
IUPAC Name:
[5-[5-(3-aminoprop-1-enyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C12H18N3O8P/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(23-10)6-22-24(19,20)21/h1-2,5,8-10,16H,3-4,6,13H2,(H,14,17,18)(H2,19,20,21)
InChI Key:
MBRAQIUMXCNASK-UHFFFAOYSA-N
SMILES:
NCC=Cc1cn([C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)c(=O)[nH]c1=O
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
363.263g/mol
Monoisotopic Mass:
363.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
-6
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