Adenosine 2'-phosphate 5'-methylenephosphosulfate

Base Information

• Chemical Name: Adenosine 2'-phosphate 5'-methylenephosphosulfate
• CAS No.: 136439-86-6
• Molecular Formula: C11H17 N5 O12 P2 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID10159790
• Wikidata: Q83028157
• Mol file: 136439-86-6.mol

Synonyms:2'-mePAPS;adenosine 2'-phosphate 5'-methylenephosphosulfate

Chemical Property of Adenosine 2'-phosphate 5'-methylenephosphosulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 294.74000
• Density: 2.43g/cm³
• LogP: -0.14600
• XLogP3: -5.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 505.00696616
• Heavy Atom Count: 31
• Complexity: 852

Purity/Quality:

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)(CS(=O)(=O)O)O)O)OP(=O)(O)O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)O)O)O)OP(=O)(O)O)N