4-Nitrophenyl myo-inositol-1-phosphate
Basic information
- CAS
142741-72-8- Standard SMILES
O=[N+]([O-])c1ccc(OP(=O)(O)O[C@H]2[C@@H]([O-])[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cc1.[NH4+]- InChIKey
JDHOSGCTUVQPRG-CZVFWDMWSA-O- Molecular formula
- C12H19N2O11P
- Average molar mass
- 398.26 g/mol
- Monoisotopic mass
- 398.07264642
Overview
structure given in first source; a chromogenic substrate for phosphatidylinositol-specific phospholipase C; RN given refers to monoammonium salt
Names & identifiers
- Preferred name
- 4-Nitrophenyl myo-inositol-1-phosphate
- IUPAC
- azanium (1S,2R,3S,4R,5S,6S)-2,3,4,5-tetrahydroxy-6-[hydroxy-(4-nitrophenoxy)phosphoryl]oxycyclohexan-1-olate
- English name
- 4-Nitrophenyl myo-inositol-1-phosphate, ammonium salt
- Molecular formula
- C12H19N2O10P
- Molecular weight
- 382.26
Names & synonyms
142741-72-84-Nitrophenyl myo-inositol-1-phosphateDTXSID00162152Myo-inositol 1-(4-nitrophenyl hydrogen phosphate)RefChem:100109DTXCID5084643azanium;(1S,2R,3S,4R,5S,6S)-2,3,4,5-tetrahydroxy-6-[hydroxy-(4-nitrophenoxy)phosphoryl]oxycyclohexan-1-olate4-NITROPHENYL MYO-INOSITOL-1-PHOSPHATE, AMMONIUM SALTAmmonium (1R,2S,3S,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-((hydroxy(4-nitrophenoxy)phosphoryl)oxy)cyclohexan-1-olate4-Nitrophenyl myo-inositol-1-phosphate monoammonium saltDL-myo-Inositol, 1-(4-nitrophenyl hydrogen phosphate), monoammonium saltAMMONIUM (1S,2R,3S,4R,5S,6S)-2,3,4,5-TETRAHYDROXY-6-{[HYDROXY(4-NITROPHENOXY)PHOSPHORYL]OXY}CYCLOHEXAN-1-OLATE
Show more names
PNP-PHOS-INOSITOLP-NITROPHENYL-MYO-INOSITOL-L-PHOSPHATE AMMONIUM SALTP-NITROPHENYL MYO-INOSITOL-1-PHOSPHATE AMMONIUM SALTMYO-INOSITOL 1-(4-NITROPHENYLPHOSPHATE) AMMONIUM SALTMYO-INOSITOL 1-(4-NITROPHENYL HYDROGEN PHOSPHATE) MONOAMMONIUM SALT
Properties
Computed structural properties
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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