α-D-glucose-1,6-bis(dihydrogenphosphat)

Glucose 1,6-bisphosphate

HCID 82400CAS 10139-18-1

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Grundinformationen

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: 339,99604915

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)DRX17R6AM2alpha-D-glucopyranose, 1,6-bis(dihydrogen phosphate)alpha-D-Glucose 1,6-biphosphateglucose-1,6-diphosphateCHEBI: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-diphosphateD-Glucose 1,6-biphosphateD-Glucose 1,6-diphosphate

Datenbank-Bezeichner

CAS: 10139-18-1
PubChem CID: 82400
DTXSID: DTXSID801014547
ChEBI: CHEBI:18148
UNII: DRX17R6AM2
EC Number: 233-395-5
Nikkaji: J40.064E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -5,3
Polarare Oberfläche (TPSA): 203 Å²
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 Å² [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)