10,10-dihydroxy-3,6-bis(2-(phosphonooxy)ethyl)-9-oxa-3,6-diaza-10-phosphadecyl dihydrogen phosphate 10-oxide, sodium salt
Basic information
- CAS
94135-56-5- Standard SMILES
O=P([O-])([O-])OCCN(CCOP(=O)([O-])[O-])CCN(CCOP(=O)([O-])[O-])CCOP(=O)(O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
SVYZTVPDQRPZNI-UHFFFAOYSA-H- Molecular formula
- C10H22N2Na6O16P4
- Average molar mass
- 688.12 g/mol
- Monoisotopic mass
- 687.9305963
Names & identifiers
- Preferred name
- 10,10-dihydroxy-3,6-bis(2-(phosphonooxy)ethyl)-9-oxa-3,6-diaza-10-phosphadecyl dihydrogen phosphate 10-oxide, sodium salt
- IUPAC
- hexasodium;2-[2-[bis(2-phosphonatooxyethyl)amino]ethyl-(2-phosphonooxyethyl)amino]ethyl phosphate
- English name
- 10,10-dihydroxy-3,6-bis[2-(phosphonooxy)ethyl]-9-oxa-3,6-diaza-10-phosphadecyl dihydrogen phosphate 10-oxide, sodium salt
- Molecular formula
- C10H22N2Na6O16P4
- Molecular weight
- 688.119144
Names & synonyms
EINECS 302-925-894135-56-510,10-Dihydroxy-3,6-bis(2-(phosphonooxy)ethyl)-9-oxa-3,6-diaza-10-phosphadecyl dihydrogen phosphate 10-oxide, sodium saltDTXSID4024076110,10-dihydroxy-3,6-bis[2-(phosphonooxy)ethyl]-9-oxa-3,6-diaza-10-phosphadecyl dihydrogen phosphate 10-oxide, sodium saltRefChem:77345DTXCID70163252302-925-8SVYZTVPDQRPZNI-UHFFFAOYSA-HNS00040144Hexasodium 1,1-dihydroxy-1-oxo-5,8-bis[2-(phosphonatooxy)ethyl]-2-oxa-5,8-diaza-1lambda~5~-phosphadecan-10-yl phosphate3,6-Bis[2-(phosphonooxy)ethyl]-3,6-diazaoctane-1,8-diol 1,8-bis(dihydrogen phosphate)/sodium,(1:x) salt
Database identifiers
- CAS
94135-56-5- PubChem CID
- 44147709
- DTXSID
DTXSID40240761- EC Number
- 302-925-8
Properties
Computed structural properties
- Topological polar surface area
- 291 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 651
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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