Home Other Building Blocks 5'-Inosinic acid

5'-Inosinic acid

CAS No.:
131-99-7
Catalog Number:
AG000VB1
Molecular Formula:
C10H13N4O8P
Molecular Weight:
348.2060
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Purity
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Product Description
Catalog Number:
AG000VB1
Chemical Name:
5'-Inosinic acid
CAS Number:
131-99-7
Molecular Formula:
C10H13N4O8P
Molecular Weight:
348.2060
MDL Number:
MFCD00066754
IUPAC Name:
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI Key:
GRSZFWQUAKGDAV-KQYNXXCUSA-N
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2O)COP(=O)(O)O
EC Number:
205-045-1
UNII:
TAO7US05G5
Properties
Complexity:
555  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
348.047g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
348.208g/mol
Monoisotopic Mass:
348.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3  
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Properties