Basic information
- CAS
151478-77-2- Standard SMILES
C[C@](O)(CI)COS(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
RGHMHAJGYNTVAZ-JTQLQIEISA-N- Molecular formula
- C10H12INO6S
- Average molar mass
- 401.18 g/mol
- Monoisotopic mass
- 400.94301
Overview
RN refers to (R)-isomer
Names & identifiers
- Preferred name
- 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate
- IUPAC
- [(2R)-2-hydroxy-3-iodo-2-methylpropyl] 4-nitrobenzenesulfonate
- English name
- 2-hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate
- Molecular formula
- C10H12INO6S
- Molecular weight
- 401.18
Names & synonyms
2-Himpnbs151478-77-22-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonateRefChem:87381(R)-2-Hydroxy-3-iodo-2-methylpropyl 4-nitrobenzenesulfonateDTXSID709342672-Hydroxy-3-iodo-2-methylpropyl 4-nitrobenzene-1-sulfonate(2R)-2-Hydroxy-3-iodo-2-methylpropyl 4-nitrobenzene-1-sulfonateBenzenesulfonic acid, 4-nitro-, 2-hydroxy-3-iodo-2-methylpropyl ester, (R)- (9CI)
Database identifiers
- CAS
151478-77-2- PubChem CID
- 192538
- DTXSID
DTXSID70934267
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 503.487 · 503.487±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.863 · 1.863±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.442 · 12.442±0.29(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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