Cas no 125207-77-4 (Adenosine,3'-deoxyadenylyl-(2'®5')-adenylyl-(2'®5')-3'-deoxy- (9CI))

Adenosine,3'-deoxyadenylyl-(2'®5')-adenylyl-(2'®5')-3'-deoxy- (9CI) structure
125207-77-4 structure
Product Name:Adenosine,3'-deoxyadenylyl-(2'®5')-adenylyl-(2'®5')-3'-deoxy- (9CI)
CAS No:125207-77-4
MF:C30H37N15O14P2
MW:893.654405355453
CID:210346
PubChem ID:452852
Update Time:2025-04-19

Adenosine,3'-deoxyadenylyl-(2'®5')-adenylyl-(2'®5')-3'-deoxy- (9CI) Chemical and Physical Properties

Names and Identifiers

    • [2-(6-aminopurin-9-yl)-5-[[[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl hydrogen phosph
    • 5')-3'-deoxy- (9CI)
    • 5')-adenylyl-(2'&reg
    • 125207-77-4
    • Cordycepin, adenosine, cordycepin
    • 2',5'-Co-A-Co (Co = Cordycepin)
    • Adenosine, 3'-deoxyadenylyl-(2'.5')-adenylyl-(2'.5')-3'-deoxy-
    • Adenosine,3'-deoxyadenylyl-(2'®5')-adenylyl-(2'®5')-3'-deoxy- (9CI)
    • Inchi： 1S/C30H37N15O14P2/c31-22-17-25(37-6-34-22)43(9-40-17)28-14(47)1-13(56-28)4-53-61(51,52)59-21-20(48)16(57-30(21)45-11-42-19-24(33)36-8-39-27(19)45)5-54-60(49,50)58-15-2-12(3-46)55-29(15)44-10-41-18-23(32)35-7-38-26(18)44/h6-16,20-21,28-30,46-48H,1-5H2,(H,49,50)(H,51,52)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)
    • InChI Key： ISOCSPMOJFLOCU-UHFFFAOYSA-N
    • SMILES： P(=O)(O)(OCC1CC(C(N2C=NC3C(N)=NC=NC2=3)O1)O)OC1C(N2C=NC3C(N)=NC=NC2=3)OC(COP(=O)(O)OC2CC(CO)OC2N2C=NC3C(N)=NC=NC2=3)C1O

Computed Properties

  • Exact Mass: 893.21241
  • Monoisotopic Mass: 893.212
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 26
  • Heavy Atom Count: 61
  • Rotatable Bond Count: 14
  • Complexity: 1630
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -5.6
  • Topological Polar Surface Area: 409?2

Experimental Properties

  • Density: 2.29
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.984
  • PSA: 408.76
  • LogP: 0.18720

Adenosine,3'-deoxyadenylyl-(2'®5')-adenylyl-(2'®5')-3'-deoxy- (9CI) Related Literature

125207-77-4 (Adenosine,3'-deoxyadenylyl-(2'®5')-adenylyl-(2'®5')-3'-deoxy- (9CI)) Related Products

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