α-D-glucose-1,6-bis(dihydrogenphosphat)
Glucose 1,6-bisphosphate
Grundinformationen
- CAS
10139-18-1- Standard-SMILES
O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
RWHOZGRAXYWRNX-VFUOTHLCSA-N- Summenformel
- C6H14O12P2
- Durchschnittliche Molmasse
- 340,12 g/mol
- Monoisotopische Masse
- 339,99604987
Überblick
Alpha-D-glucose 1,6-bisphosphate is a D-glucose 1,6-bisphosphate in which both phosphate groups are monophosphates. It has a role as an Escherichia coli metabolite and a human metabolite. It is functionally related to an alpha-D-glucose. It is a conjugate acid of an alpha-D-glucose 1,6-bisphosphate(4-).
Namen und Bezeichner
- Bevorzugter Name
- Glucose 1,6-bisphosphate
- IUPAC
- [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
- Lokaler Name
- α-D-glucose-1,6-bis(dihydrogenphosphat)
- Englischer Name
- alpha-D-glucose 1,6-bis(dihydrogen phosphate)
- Summenformel
- C6H14O12P2
- Molmasse
- 340.115682
Namen und Synonyme
alpha-D-Glucose 1,6-bisphosphateGlucose 1,6-bisphosphate10139-18-1Glucose 1,6-diphosphateglucose-1,6-bisphosphatealpha-D-Glucose 1,6-bis(dihydrogen phosphate)glucose-1,6-diphosphateDRX17R6AM2alpha-D-glucopyranose, 1,6-bis(dihydrogen phosphate)alpha-D-Glucose 1,6-biphosphateCHEBI:18148DTXSID801014547
Weitere Namen anzeigen
C00660D-Glucose 1,6-bisphosphateα-D-Glucopyranose 1,6-bisphosphoric acidα-D-Glucopyranose, 1,6-bis(dihydrogen phosphate)[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxyphosphonic acid(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
RefChem:555625DTXCID301437120(((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl)methoxy)phosphonic acid233-395-51,6-di-O-phosphono-alpha-D-glucopyranosealpha-D-Glucose 1,6-diphosphatebeta-d-glucose 1,6-(bis)phosphateD-Glucose 1,6-biphosphate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -5,3
- Polarare Oberfläche (TPSA)
- 203 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 414
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LogP-4.374
Physical DescriptionSolid
Collision Cross Section159.11 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- Siedepunkt
- 733.2 · 733.2±70.0 °C(Predicted)
- Dichte
- 2.05 · 2.05±0.1 g/cm3(Predicted)
- pka
- 1.73 · 1.73±0.10(Predicted)
- EPA chemische Informationen
- 1 · .alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate) (10139-18-1)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsPlacenta
Metabolite PathwaysGlycogen synthetase deficiency
Verwendung und Herstellung
General Manufacturing Information.alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate): ACTIVE
Ergänzende Hinweise
DefinitionChEBI: A D-glucose 1,6-bisphosphate in which both phosphate groups are monophosphates.
Zugehörige Reaktionen
5
Notizen zur Verbindung
Wird geladen…