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77032-38-3 | Uridine, 5'-O-(phosphonomethyl)-
CAS No: 77032-38-3 Catalog No: AG005EOI MDL No:
Product Description
Catalog Number:
AG005EOI
Chemical Name:
Uridine, 5'-O-(phosphonomethyl)-
CAS Number:
77032-38-3
Molecular Formula:
C10H15N2O9P
Molecular Weight:
338.2079
IUPAC Name:
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
InChI:
InChI=1S/C10H15N2O9P/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(21-9)3-20-4-22(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
InChI Key:
CSIDRCOAERKRQN-ZOQUXTDFSA-N
SMILES:
O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COCP(=O)(O)O
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
338.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
338.209g/mol
Monoisotopic Mass:
338.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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