Glucose-1-(dihydrogenphosphat)

alpha-D-glucose 1-phosphate

HCID 65533CAS 59-56-3

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Grundinformationen

Standard-SMILES: O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: HXXFSFRBOHSIMQ-VFUOTHLCSA-N
Summenformel: C6H13O9P
Durchschnittliche Molmasse: 260,14 g/mol
Monoisotopische Masse: 260,02971863

Überblick

Alpha-D-glucose 1-phosphate is a D-glucopyranose 1-phosphate in which the anomeric centre has alpha-configuration. It is functionally related to an alpha-D-glucose. It is a conjugate acid of an alpha-D-glucose 1-phosphate(2-).

Namen und Bezeichner

Bevorzugter Name: alpha-D-glucose 1-phosphate
IUPAC: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
Lokaler Name: Glucose-1-(dihydrogenphosphat)
Englischer Name: glucose 1-(dihydrogen phosphate)
Summenformel: C6H13O9P
Molmasse: 260.13

Namen und Synonyme

alpha-D-glucose-1-phosphatealpha-D-Glucose 1-phosphatealpha-D-Glucopyranosyl phosphate1-O-phosphono-alpha-D-glucopyranosealpha-D-Glucopyranose, 1-(dihydrogen phosphate)CHEBI:29042DTXSID90889321.alpha.-D-Glucopyranose, 1-(dihydrogen phosphate)alpha-D-glucopyranose 1-(dihydrogen phosphate)[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) dihydrogen phosphateRefChem:555626

Weitere Namen anzeigen

GLC-1-Pglucose-1Palpha-D-glucose-1-Pa-Glucose-1-phosphateGlucose monophosphate.α-D-glucose1-phosphateD-glucose-alpha-1-phosphateHXXFSFRBOHSIMQ-VFUOTHLCSA-N

DTXCID001028584Glucose-1-phosphatecori ester59-56-3Glucose 1-(dihydrogen phosphate)alpha-glucose-1-phosphateGlucose monophosphateD-glucose 1-phosphate

Datenbank-Bezeichner

CAS: 59-56-3
PubChem CID: 65533
DTXSID: DTXSID90889321
ChEBI: CHEBI:29042
UNII: CIX3U01VAU
EC Number: 200-435-8
Nikkaji: J40.065C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,8
Polarare Oberfläche (TPSA): 157 Å²
H-Brücken-Donoren: 6
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 277

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Solubility1000.0 mg/mL

Physical DescriptionSolid

Dissociation Constants1.11

Collision Cross Section · 3 Einträge

161.83 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]

145.48 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

149.4 Å² [M-H]-

Physikochemische Eigenschaften

Siedepunkt: 603 · 603.0±65.0 °C(Predicted)
Dichte: 1.9 · 1.90±0.1 g/cm3(Predicted)
Löslichkeit: Soluble (water), slightly soluble (ethanol)
Aggregatzustand: Solid
pka: 6.504 · pKa: 6.504(25°C)
Farbe: White to off-white
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING - EMOLLIENT
EPA chemische Informationen: 1 · .alpha.-D-Glucopyranose, 1-(dihydrogen phosphate) (59-56-3)