6-Mercaptopurine ribonucleoside 5'-diphosphate

Base Information

• Chemical Name: 6-Mercaptopurine ribonucleoside 5'-diphosphate
• CAS No.: 805-63-0
• Molecular Formula: C10H14 N4 O10 P2 S
• Molecular Weight: 444.251482
• UNII: X68WXD4Y4N
• DSSTox Substance ID: DTXSID70230372
• Nikkaji Number: J2.804.087C
• Wikidata: Q27149656
• Mol file: 805-63-0.mol

Synonyms:6-mercaptopurine ribonucleoside 5'-diphosphate;6-MPR 5'-DP

Chemical Property of 6-Mercaptopurine ribonucleoside 5'-diphosphate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 909.7°C at 760 mmHg
• Flash Point: 504°C
• PSA: 265.00000
• Density: 2.42g/cm³
• LogP: -1.03950
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 443.99058783
• Heavy Atom Count: 27
• Complexity: 720

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
• Isomeric SMILES: C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O

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