Basic information
- CAS
93804-15-0- Standard SMILES
O=P(O)(O)OCN(CCCCCCN(COP(=O)(O)O)COP(=O)(O)O)COP(=O)(O)O- InChIKey
NKIXHMJOANMLAB-UHFFFAOYSA-N- Molecular formula
- C10H28N2O16P4
- Average molar mass
- 556.23 g/mol
- Monoisotopic mass
- 556.0389308
Names & identifiers
- Preferred name
- 12,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxide
- IUPAC
- [6-[bis(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl dihydrogen phosphate
Names & synonyms
EINECS 298-389-793804-15-012,12-Dihydroxy-2,9-bis((phosphonooxy)methyl)-11-oxa-2,9-diaza-12-phosphadodecyl dihydrogen phosphate 12-oxideDTXSID30917854NKIXHMJOANMLAB-UHFFFAOYSA-N[(Hexane-1,6-diyl)bis(nitrilo)bis(methylene)] tetrakis[dihydrogen (phosphate)]
Database identifiers
- CAS
93804-15-0- PubChem CID
- 172005
- DTXSID
DTXSID30917854- EC Number
- 298-389-7
- Nikkaji
- J346.580B
Properties
Computed structural properties
- XLogP
- -9.6
- Topological polar surface area
- 274 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 19
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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