Cas no 69150-52-3 (Deoxyadenosine-5'-tri-3'-diphosphate)

Deoxyadenosine-5'-tri-3'-diphosphate structure
69150-52-3 structure
Product Name:Deoxyadenosine-5'-tri-3'-diphosphate
CAS No:69150-52-3
MF:C10H18N5O18P5
MW:651.141426563263
CID:512755
Update Time:2023-08-02

Deoxyadenosine-5'-tri-3'-diphosphate Chemical and Physical Properties

Names and Identifiers

    • Adenosine5'-(tetrahydrogen triphosphate), 2'-deoxy-, 3'-(trihydrogen diphosphate) (9CI)
    • deoxyadenosine-5'-tri-3'-diphosphate
    • Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-3'-(trihydrogen diphosphate)
    • 9-{2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
    • Deoxyadenosine-5'-tri-3'-diphosphate
    • Inchi： 1S/C10H18N5O18P5/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(30-37(24,25)31-34(16,17)18)6(29-7)2-28-36(22,23)33-38(26,27)32-35(19,20)21/h3-7H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1
    • InChI Key： HCCOSUQSYWESKP-RRKCRQDMSA-N
    • SMILES： P(=O)(O)(OP(=O)(O)O)O[C@H]1C[C@H](N2C=NC3C(N)=NC=NC2=3)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Computed Properties

  • Exact Mass: 650.933
  • Monoisotopic Mass: 650.933
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 12
  • Complexity: 1100
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.4
  • Topological Polar Surface Area: 352

Experimental Properties

  • Density: 2.73
  • Boiling Point: 1060°C at 760 mmHg
  • Flash Point: 594.9°C
  • Refractive Index: 1.879

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(CAS:69150-52-3)Deoxyadenosine-5'-tri-3'-diphosphate
Order Number:NC20551
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Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:03
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(CAS:69150-52-3)Deoxyadenosine-5'-tri-3'-diphosphate
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Purity:97%
Quantity:10g
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