Phosphoric acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(6-amino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester

Base Information

• Chemical Name: Phosphoric acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(6-amino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester
• CAS No.: 102029-96-9
• Molecular Formula: C20H25 N10 O10 P . H3 N
• Molecular Weight: 596.45
• European Community (EC) Number: 219-239-9
• NSC Number: 220333,91555
• DSSTox Substance ID: DTXSID60293698
• Mol file: 102029-96-9.mol

Synonyms:adenylyl-(3'-5')-adenosine

Chemical Property of Phosphoric acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(6-amino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.987
• Boiling Point: 1081.3°Cat760mmHg
• Flash Point: 607.8°C
• PSA: 304.19000
• Density: 2.32g/cm³
• LogP: -1.63500
• XLogP3: -5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 596.14927403
• Heavy Atom Count: 41
• Complexity: 980

Purity/Quality:

99% ^*data from raw suppliers

ADENYLYL(3'-5')ADENOSINE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OC4C(OC(C4O)N5C=NC6=C(N=CN=C65)N)CO)O)O)N