Cas no 917-44-2 (Adenosine, adenylyl-(3'®5')-adenylyl-(3'®5')-)

Adenosine, adenylyl-(3'®5')-adenylyl-(3'®5')- structure
917-44-2 structure
Product Name:Adenosine, adenylyl-(3'®5')-adenylyl-(3'®5')-
CAS No:917-44-2
MF:C30H37N15O16P2
MW:925.653205633163
CID:806204
PubChem ID:3491288
Update Time:2025-04-19

Adenosine, adenylyl-(3'®5')-adenylyl-(3'®5')- Chemical and Physical Properties

Names and Identifiers

    • adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine
    • 5')-adenylyl-(3'&reg
    • 3'-Adenylicacid, bimol. 3',5'''-ester, 3''',5'-ester with adenosine (6CI)
    • AAA
    • ApApA
    • Adenosine, adenylyl-(3'-5')-adenylyl-(3'-5')-
    • Adenylyl-adenylyl-adenosine
    • 917-44-2
    • Adenosine, adenylyl-(3'®5')-adenylyl-(3'®5')-
    • Inchi： 1S/C30H37N15O16P2/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(58-28)2-55-62(51,52)61-21-12(59-30(19(21)50)45-9-42-15-24(33)36-6-39-27(15)45)3-56-63(53,54)60-20-10(1-46)57-29(18(20)49)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)
    • InChI Key： CUJKPTPMTCNOKC-UHFFFAOYSA-N
    • SMILES： P(=O)(O)(OCC1C(C(C(N2C=NC3C(N)=NC=NC2=3)O1)O)O)OC1C(C(N2C=NC3C(N)=NC=NC2=3)OC1COP(=O)(O)OC1C(CO)OC(C1O)N1C=NC2C(N)=NC=NC1=2)O

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: -7.6
  • Topological Polar Surface Area: 449?2

Experimental Properties

  • PSA: 468.84000
  • LogP: -1.87120

Adenosine, adenylyl-(3'®5')-adenylyl-(3'®5')- Related Literature

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