uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04234499
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IDENTITY
结构与身份
- 标准SMILES
- O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
- InChIKey
- GSXOAOHZAIYLCY-HSUXUTPPSA-N
- 分子式
- C6H13O9P
- 平均分子量
- 260.14 g/mol
- 单同位素质量
- 260.02971899
COMPUTED
结构计算性质
- XLogP
- -4.3
- 极性表面积
- 165 Ų
- 氢键供体
- 6
- 氢键受体
- 9
- 可旋转键
- 7
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 273
PROPERTIES
实验与物化性质
Solubility
911 mg/mL
Physical Description
Very soluble in water; [Merck Index]
Solid
Collision Cross Section
150 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
154.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
156.44 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]；148.02 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
154.4 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；144.1 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；154.9 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
146.1 Ų [M-H]-；154.8 Ų [M-2H+Na]-；154.3 Ų [M+Na]+；155.2 Ų [M+Na]+；144.3 Ų [M-H]-
PHARMACOLOGY
药理信息
Tissue Locations
Intestine；Prostate
Cellular Locations
Cytoplasm
Metabolite Pathways
2-Hydroxyglutric Aciduria (D And L Form)；4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency；Amino Sugar Metabolism；Fanconi-bickel syndrome；Fructose and mannose metabolism；Fructose intolerance, hereditary；Fructose-1,6-diphosphatase deficiency；Fructosuria；G(M2)-Gangliosidosis: Variant B, Tay-sachs disease；Glucose-6-phosphate dehydrogenase deficiency；Total 30 pathways, visit the HMDB page for details
USES
用途与制造
Uses
Present in animal tissues as an equilibrium mixture with glucose-6-phosphate. [Merck Index]
General Manufacturing Information
D-Fructose, 6-(dihydrogen phosphate): INACTIVE
ALIASES
名称与别名
fructose-6-phosphateFructose 6-Phosphate643-13-06814-87-52012QM764Y[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate{[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl]oxy}phosphonic acid(((2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl)oxy)phosphonic acid((2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl) dihydrogen phosphateRefChem:600597GlyTouCan:G12594GBCHEBI:88003G12594GB211-395-6Neuberg esterD-fructose-6-phosphateD-fructose 6-(dihydrogen phosphate)fructose-6Pfructose-6-PD-fructose-6-P
REACTIONS
