6-Amino-2-[[[2-[(3-formylphenyl)methylene]hydrazinyl]carbonyl]amino]-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinoline-5,8-disulfonic acid
Basic information
- CAS
131816-87-0- Standard SMILES
Nc1c(S(=O)(=O)O)cc2c3c(cc(S(=O)(=O)O)cc13)C(=O)N(NC(=O)NN=Cc1cccc(C=O)c1)C2=O- InChIKey
SFHYNDMGZXWXBU-UHFFFAOYSA-N- Molecular formula
- C21H15N5O10S2
- Average molar mass
- 561.5 g/mol
- Monoisotopic mass
- 561.02603404
Names & identifiers
- Preferred name
- 6-Amino-2-[[[2-[(3-formylphenyl)methylene]hydrazinyl]carbonyl]amino]-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinoline-5,8-disulfonic acid
- IUPAC
- 6-amino-2-[[(3-formylphenyl)methylideneamino]carbamoylamino]-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid
- English name
- A2
- Molecular formula
- C21H15N5O10S2
- Molecular weight
- 561.5
Names & synonyms
DTXSID5011019236-Amino-2-[[[2-[(3-formylphenyl)methylene]hydrazinyl]carbonyl]amino]-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinoline-5,8-disulfonic acidARCLCompound A2A2ATP6A2ATP6V0A2Aids002616Aids-002616DISIALYLATED, GALACTOSYLATED, BIANTENNARY1H-Benz[de]isoquinoline-5,8-disulfonic acid, 6-amino-2-[[[[(3-formylphenyl)methylene]hydrazino]carbonyl]amino]-2,3-dihydro-1,3-dioxo-1H-Benz[de]isoquinoline-5,8-disulfonic acid, 6-amino-2-[[[2-[(3-formylphenyl)methylene]hydrazinyl]carbonyl]amino]-2,3-dihydro-1,3-dioxo-
Database identifiers
- CAS
131816-87-0- PubChem CID
- 452944
- DTXSID
DTXSID501101923
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 259 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,230
Physicochemical properties
- storage temp.
- -20 °C · -20°C
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Related reactions
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Compound notes
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