Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 5   > 5'-Adenylic acid, 3'-amino-3'-deoxy-
285978-18-9 structure

5'-Adenylic acid, 3'-amino-3'-deoxy-

Iupac Name:disodium;[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
CAS No.:285978-18-9
Molecular Weight:528.103
Molecular Formula:C15H24O (isomer)
Names and Identifiers
Synonyms

[(2s,3s,4r,5r)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) 3'-amino-3'-deoxy-amp C07026 CTK1D2678 DTXSID70672990 SCHEMBL6763100 surecn6763100

Inchi
InChI=1S/C9H15N2O15P3.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1
InChkey
JFXKPFPIFSFLOU-WFIJOQBCSA-L
Canonical Smiles
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-])O)O.[Na+].[Na+]
Properties
Flash Point
282.8°C
Computational chemical data
  • Molecular Weight:528.103g/mol
  • Molecular Formula:C15H24O
  • Compound Is Canonicalized:True
  • Exact Mass:527.932
  • Monoisotopic Mass:527.932
  • Complexity:828
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:15
  • Topological Polar Surface Area:265A^2
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADccBzPDMAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCI QCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
<