2,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-dipropionic acid
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Basic information
- CAS
3058-05-7- Standard SMILES
O=C(O)CCC1OCC2(CO1)COC(CCC(=O)O)OC2- InChIKey
PVCPWBCCWVKROB-UHFFFAOYSA-N- Molecular formula
- C13H20O8
- Average molar mass
- 304.29 g/mol
- Monoisotopic mass
- 304.11581759
Names & identifiers
- Preferred name
- 2,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-dipropionic acid
- IUPAC
- 3-[3-(2-carboxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanoic acid
- English name
- 2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropionic acid
- Molecular formula
- C13H20O8
- Molecular weight
- 304.29
Names & synonyms
3058-05-72,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-dipropionic acid2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropionic acid3,3'-(2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diyl)dipropionic acidSCHEMBL294976DTXSID60184658PVCPWBCCWVKROB-UHFFFAOYSA-NEINECS 221-295-4NS000478943,3'-(2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diyl)dipropanoic acid2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanoic acid2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanoic acid(9CI)
Show more names
2, 4, 8, 10-Tetraoxaspiro[5.5]undecane-3, 9-dipropanoic acid(9CI)3-[9-(2-carboxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propanoic acid
Database identifiers
- CAS
3058-05-7- PubChem CID
- 76466
- DTXSID
DTXSID60184658- EC Number
- 221-295-4
- Nikkaji
- J38.164K
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 207 · 207-208 °C(Solv: water (7732-18-5))
- Boiling point
- 492.8 · 492.8±40.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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