3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
Grundinformationen
- CAS
149952-35-2- Standard-SMILES
O=P(O)(O)OC1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O- InChIKey
UPHPWXPNZIOZJL-LXOASSSBSA-N- Summenformel
- C6H19O27P7
- Durchschnittliche Molmasse
- 740,02 g/mol
- Monoisotopische Masse
- 739,8277043
Überblick
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate is a myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 1, 2, 4, 5 and 6 as well as a diphospho group at position 3. It is functionally related to a myo-inositol. It is a conjugate acid of a 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13-).
Namen und Bezeichner
- Bevorzugter Name
- 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
- IUPAC
- [(2S,3R,5S,6S)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphate
Namen und Synonyme
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate3-PP-IP51,2,4,5,6-pentakis-O-phosphono-1D-myo-inositol 3-(trihydrogen diphosphate)(1S,2S,3R,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphateSCHEMBL6710149SCHEMBL30629453CHEBI:62922DTXSID00332070Q27132282(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-Pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate[(2S,3S,5R,6S)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphaterel-(2R,3S,5R,6R)-2,3,4,5,6-Pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
Weitere Namen anzeigen
149952-35-2
Datenbank-Bezeichner
- CAS
149952-35-2- PubChem CID
- 10747577
- DTXSID
DTXSID00332070- ChEBI
CHEBI:62922
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -11,4
- Polarare Oberfläche (TPSA)
- 447 Ų
- H-Brücken-Donoren
- 13
- H-Brücken-Akzeptoren
- 27
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 40
- Formalladung
- 0
- Komplexität
- 1.160
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