Basic information
- CAS
59893-64-0- Standard SMILES
COC(=N)CCNC(=O)C(O)C(O)C(=O)NCCC(=N)OC- InChIKey
RWIDPXJFWGFFJJ-UHFFFAOYSA-N- Molecular formula
- C12H22N4O6
- Average molar mass
- 318.33 g/mol
- Monoisotopic mass
- 318.15393443
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)
- IUPAC
- methyl 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxypropyl)amino]-4-oxobutanoyl]amino]propanimidate
- English name
- dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)
- Molecular formula
- C12H22N4O6
- Molecular weight
- 318.33
Names & synonyms
DDDDBDDDDI80186-82-9Dimethyl-3,8-diaza-4,7-dioxo-5,6-dihydroxydecanbis(imidate)Dimethyl-4,7-dioxo-5,6-dihydroxy-3,8-diazadecanbis(imidate)Propanimidic acid, 3,3'-((2,3-dihydroxy-1,4-dioxo-1,4-butanediyl)diimino)bis-, dimethyl esterRefChem:92031559893-64-0Methyl 3-((2,3-dihydroxy-4-((3-imino-3-methoxypropyl)amino)-4-oxobutanoyl)amino)propanimidoateNSC 284439NSC284439SCHEMBL31270489
Show more names
Propanimidic acid, 3,3'-[(2,3-dihydroxy-1,4-dioxo-1,4-butanediyl)diimino]bis-, dimethyl ester (9CI)
DTXSID7010010822,3-Dihydroxy-N~1~,N~4~-bis(3-imino-3-methoxypropyl)butanediimidic acidmethyl 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxy-propyl)amino]-4-oxo-butanoyl]amino]propanimidate
Database identifiers
- CAS
59893-64-0、80186-82-9
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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