1-deoxy-1-((4,5-dimethyl-2-((E)-(4-nitrophenyl)diazenyl)phenyl)amino)pentitol
Basic information
- CAS
6286-17-5- Standard SMILES
Cc1cc(N=Nc2ccc([N+](=O)[O-])cc2)c(NCC(O)C(O)C(O)CO)cc1C- InChIKey
ZAQVZMOTWPKVMD-UHFFFAOYSA-N- Molecular formula
- C19H24N4O6
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.1695845
Names & identifiers
- Preferred name
- 1-deoxy-1-((4,5-dimethyl-2-((E)-(4-nitrophenyl)diazenyl)phenyl)amino)pentitol
- IUPAC
- 5-[4,5-dimethyl-2-[(4-nitrophenyl)diazenyl]anilino]pentane-1,2,3,4-tetrol
Names & synonyms
6286-17-5NSC10021NSC 100211-deoxy-1-((4,5-dimethyl-2-((E)-(4-nitrophenyl)diazenyl)phenyl)amino)pentitolNSC-100211-deoxy-1-({4,5-dimethyl-2-[(E)-(4-nitrophenyl)diazenyl]phenyl}amino)pentitolNE4UPT62LAPentitol, 5-deoxy-5-[[4,5-dimethyl-2-[(4-nitrophenyl)azo]phenyl]amino]-5-[4,5-dimethyl-2-[(E)-(4-nitrophenyl)azo]anilino]pentane-1,2,3,4-tetrol
Database identifiers
- CAS
6286-17-5- PubChem CID
- 407889
- UNII
- NE4UPT62LA
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 537
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Related reactions
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Compound notes
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