Inosinic acid

C10H13N4O8PCAS 131-99-7348.21 g/mol

Open in Covalent MOL file
OPOHHOOONNOHNNOHHO
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C10H13N4O8P
Molar mass
348.21 g/mol
Exact mass
348.0471 Da
logP
-1.74Crippen estimate
Polar surface area
180.3 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
4
Stereocentres
R, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
131-99-7
SMILES
O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O
InChIKey
GRSZFWQUAKGDAV-KQYNXXCUSA-N
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

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Names and synonyms

9 names
  • 5′-Inosinic acid
  • 5′-IMP
  • IMP
  • Inosine 5′-monophosphate
  • Inosine 5′-phosphate
  • Inosine-5′-monophosphoric acid
  • Inosine 5′-(dihydrogen phosphate)
  • [3,4-Dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [3,4-Dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Work with Inosinic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Disodium inosinate4691-65-0Salt Poly(I:C)24939-03-5Salt Polyinosinic acid30918-54-8

Similar compounds

Vidarabine phosphate29984-33-678 % similar Adenosine monophosphate61-19-878 % similar Adenosine 5'-monophosphate monohydrate18422-05-474 % similar Inosine 5′-diphosphate disodium salt54735-61-468 % similar Inosine58-63-967 % similar Adenosine diphosphate58-64-065 % similar 5′-ATP56-65-563 % similar Guanosine monophosphate85-32-563 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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