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57881-71-7 | D-Ribose, 5-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt (9CI)
CAS No: 57881-71-7 Catalog No: AG00302C MDL No:
Product Description
Catalog Number:
AG00302C
Chemical Name:
D-Ribose, 5-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt (9CI)
CAS Number:
57881-71-7
IUPAC Name:
(2R,3R,4R,5R)-2-(5-carbamoyl-2H-pyridin-1-yl)-5-[[(2R,3R,4R)-3,4-dihydroxy-1-[hydroxy(phosphonooxy)phosphoryl]oxy-5-oxopentan-2-yl]oxymethyl]-4-hydroxyoxolan-3-olate
InChI:
InChI=1S/C16H25N2O15P2/c17-15(24)8-2-1-3-18(4-8)16-14(23)13(22)11(32-16)6-30-10(12(21)9(20)5-19)7-31-35(28,29)33-34(25,26)27/h1-2,4-5,9-14,16,20-22H,3,6-7H2,(H2,17,24)(H,28,29)(H2,25,26,27)/q-1/t9-,10+,11+,12+,13-,14+,16+/m0/s1
InChI Key:
WTOQHWDYEWJHLA-SNGIBDKHSA-N
Properties
Complexity:
923
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
547.073g/mol
Formal Charge:
-1
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
547.323g/mol
Monoisotopic Mass:
547.073g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
279A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.1
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