Cas no 81371-57-5 (b-D-xylo-Adenosine, b-D-xylo-adenylyl-(2'®5')-b-D-xylo-adenylyl-(2'®5')- (9CI))

b-D-xylo-Adenosine, b-D-xylo-adenylyl-(2'®5')-b-D-xylo-adenylyl-(2'®5')- (9CI) structure
81371-57-5 structure
Product Name:b-D-xylo-Adenosine, b-D-xylo-adenylyl-(2'®5')-b-D-xylo-adenylyl-(2'®5')- (9CI)
CAS No:81371-57-5
MF:C30H37N15O16P2
MW:925.653205633163
CID:726137
PubChem ID:3037723
Update Time:2025-04-19

b-D-xylo-Adenosine, b-D-xylo-adenylyl-(2'®5')-b-D-xylo-adenylyl-(2'®5')- (9CI) Chemical and Physical Properties

Names and Identifiers

    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-h
    • xylo 2-5A core
    • 5')- (9CI)
    • 5')-b-D-xylo-adenylyl-(2'&reg
    • 81371-57-5
    • Xyloadenosine, xyloadenylyl-(2'-5')-xyloadenylyl-(2'-5')-
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
    • beta-D-xylo-Adenosine, beta-D-xylo-adenylyl-(2'-5')-beta-D-xylo-adenylyl-(2'-5')-
    • (Xyloa2'p)(2)xyloa
    • b-D-xylo-Adenosine, b-D-xylo-adenylyl-(2'®5')-b-D-xylo-adenylyl-(2'®5')- (9CI)
    • Inchi： 1S/C30H37N15O16P2/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(50)16(47)11(58-28)2-55-62(51,52)61-21-18(49)12(59-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-56-63(53,54)60-20-17(48)10(1-46)57-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-50H,1-3H2,(H,51,52)(H,53,54)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)/t10-,11-,12-,16+,17+,18+,19-,20-,21-,28-,29-,30-/m1/s1
    • InChI Key： CBJIAGXLQBYGOU-UVHJJGOISA-N
    • SMILES： P(=O)(O)(OC[C@@H]1[C@@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O)O[C@H]1[C@H](N2C=NC3C(N)=NC=NC2=3)O[C@H](COP(=O)(O)O[C@H]2[C@H](N3C=NC4C(N)=NC=NC3=4)O[C@H](CO)[C@@H]2O)[C@@H]1O

Computed Properties

  • Exact Mass: 925.202
  • Monoisotopic Mass: 925.202
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 28
  • Heavy Atom Count: 63
  • Rotatable Bond Count: 14
  • Complexity: 1700
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -7
  • Topological Polar Surface Area: 449?2

Experimental Properties

  • Density: 2.41
  • Refractive Index: 2.019
  • PSA: 468.84000
  • LogP: -1.87120

b-D-xylo-Adenosine, b-D-xylo-adenylyl-(2'®5')-b-D-xylo-adenylyl-(2'®5')- (9CI) Related Literature

81371-57-5 (b-D-xylo-Adenosine, b-D-xylo-adenylyl-(2'®5')-b-D-xylo-adenylyl-(2'®5')- (9CI)) Related Products

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