Basic information
- CAS
60323-59-3- Standard SMILES
CCOC(=O)C1=NN2C(O)C3(C)CC(C(=O)OCC)=NN3C(O)C2(C)C1- InChIKey
DGBPJSJWNZQGQU-UHFFFAOYSA-N- Molecular formula
- C16H24N4O6
- Average molar mass
- 368.38 g/mol
- Monoisotopic mass
- 368.1695845
Names & identifiers
- Preferred name
- 3H,8H-Dipyrazolo[1,5-a:1',5'-d]pyrazine-2,7-dicarboxylic acid, 3a,4,8a,9-tetrahydro-4,9-dihydroxy-3a,8a-dimethyl-, diethyl ester, (3aalpha,4beta,8abeta,9alpha)-
- IUPAC
- diethyl 2,8-dihydroxy-3,9-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-5,11-diene-5,11-dicarboxylate
Names & synonyms
MLS00311548360323-59-3NSC278339CHEMBL2142118DTXSID50313910NSC-2783393H,8H-Dipyrazolo[1,5-a:1',5'-d]pyrazine-2,7-dicarboxylic acid, 3a,4,8a,9-tetrahydro-4,9-dihydroxy-3a,8a-dimethyl-, diethyl ester, (3a.alpha.,4.beta.,8a.beta.,9.alpha.)-SMR0018310593H,5-a:1',5'-d]pyrazine-2,7-dicarboxylic acid, 3a,4,8a,9-tetrahydro-4,9-dihydroxy-3a,8a-dimethyl-, diethyl ester, (3a.alpha.,4.beta.,8a.beta.,9.alpha.)-Diethyl 4,9-dihydroxy-3a,8a-dimethyl-3a,4,8a,9-tetrahydro-3H,8H-dipyrazolo[1,5-a:1',5'-d]pyrazine-2,7-dicarboxylate
Database identifiers
- CAS
60323-59-3- PubChem CID
- 322205
- DTXSID
DTXSID50313910- ChEMBL
CHEMBL2142118
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…