Basic information
- CAS
78549-90-3- Standard SMILES
CCN(CC)CC.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2C(O)C(COP(=O)(O)OC3C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC3n3cnc4c(N)ncnc43)OC2n2cnc3c(N)ncnc32)C(O)C1O- InChIKey
ZIEAURZULXATGE-UHFFFAOYSA-N- Molecular formula
- C36H55N16O25P5
- Average molar mass
- 1,266.8 g/mol
- Monoisotopic mass
- 1,266.22123629
Names & identifiers
- Preferred name
- PPP(2'-5')-A-A-A triethyl ammonium salt
- IUPAC
- [[5-(6-aminopurin-9-yl)-4-[[5-(6-aminopurin-9-yl)-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N,N-diethylethanamine
Names & synonyms
NSC32994178549-90-3PPP(2'-5')-A-A-A triethyl ammonium saltDTXSID10330901NSC-329941AMMONIUM SALT, PPP (2'-5') A-A-A TRIETHYL
Database identifiers
- CAS
78549-90-3- PubChem CID
- 433442
- DTXSID
DTXSID10330901
Properties
Computed structural properties
- Topological polar surface area
- 592 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 38
- Rotatable bonds
- 23
- Heavy atoms
- 82
- Formal charge
- 0
- Complexity
- 2,290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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