D-과당6-(인산이수소)

Fructose 6-phosphate

HCID 69507CAS 643-13-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
InChIKey: GSXOAOHZAIYLCY-HSUXUTPPSA-N
분자식: C6H13O9P
평균 분자량: 260.14 g/mol
단동위원소 질량: 260.02971899

이름 및 식별자

우선 이름: Fructose 6-phosphate
IUPAC: [(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate
현지명: D-과당6-(인산이수소)
영어명: D-fructose 6-(dihydrogen phosphate)
분자식: C6H13O9P
분자량: 260.14

이름 및 동의어

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:88003

이름 더 보기

D-과당6-(인산이수소)F6Pfruc6pFru6-PlactacidogenA-D-fructose-6-PMethotrexate Impurity 23

G12594GB211-395-6Neuberg esterD-fructose-6-phosphateD-fructose 6-(dihydrogen phosphate)fructose-6Pfructose-6-PD-fructose-6-P

데이터베이스 식별자

CAS: 643-13-0、6814-87-5
PubChem CID: 69507
DTXSID: DTXSID80904350
ChEBI: CHEBI:15946
UNII: 2012QM764Y
EC Number: 211-395-6
Nikkaji: J92.807K

물성

구조 계산 물성

XLogP: -4.3
극성 표면적: 165 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 9
회전 가능 결합 수: 7
무거운 원자 수: 16
형식 전하: 0
복잡도: 273

실험 및 물리화학적 성질

Solubility911 mg/mL

Physical Description · 2건

Very soluble in water; [Merck Index]

Solid

Collision Cross Section · 5건

150 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]

154.2 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

156.44 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]；148.02 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

154.4 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；144.1 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；154.9 Å² [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

146.1 Å² [M-H]-；154.8 Å² [M-2H+Na]-；154.3 Å² [M+Na]+；155.2 Å² [M+Na]+；144.3 Å² [M-H]-

물리화학적 성질

끓는 점: 697.7 · 697.7±65.0 °C(Predicted)
밀도: 1.84 · 1.840±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, sealed storage, away from moisture
물리적 상태: Solid
산도 계수 (pKa): 1.83 · 1.83±0.10(Predicted)
색상: White to off-white
EPA: 6 · D-Fructose, 6-(dihydrogen phosphate) (643-13-0)

안전 및 규제

안전 데이터

tsca: TSCA listed
ridadr: 1759
포장분류: III
위험 등급: 8
기존화학 물질: KE-17268

화학 및 산업

약리 정보

Tissue LocationsIntestine；Prostate

Cellular LocationsCytoplasm

Metabolite Pathways · 1건

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