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148253-83-2 | Uridine 5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI)
CAS No: 148253-83-2 Catalog No: AG001FKF MDL No:
Product Description
Catalog Number:
AG001FKF
Chemical Name:
Uridine 5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI)
CAS Number:
148253-83-2
Molecular Formula:
C10H16N2O12P2
Molecular Weight:
418.1878
IUPAC Name:
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-3-methyloxolan-2-yl]methyl phosphono hydrogen phosphate
InChI:
InChI=1S/C10H16N2O12P2/c1-10(16)5(4-22-26(20,21)24-25(17,18)19)23-8(7(10)14)12-3-2-6(13)11-9(12)15/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,11,13,15)(H2,17,18,19)/t5-,7+,8-,10-/m1/s1
InChI Key:
FEDSIAQXFAVIAW-AMCGLFBUSA-N
SMILES:
O[C@H]1[C@@H](O[C@@H]([C@@]1(C)O)COP(=O)(OP(=O)(O)O)O)n1ccc(=O)[nH]c1=O
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
418.018g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
418.188g/mol
Monoisotopic Mass:
418.018g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.9
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