基本情報
- CAS
15209-12-8- 標準SMILES
O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
NBSCHQHZLSJFNQ-VFUOTHLCSA-N- 分子式
- C6H13O9P
- 平均分子量
- 260.14 g/mol
- 単同位体質量
- 260.02971863
概要
Beta-D-glucose 6-phosphate is a D-glucopyranose 6-phosphate in which the anomeric centre has beta-configuration. It has a role as an epitope and a mouse metabolite. It is functionally related to a beta-D-glucose. It is a conjugate acid of a beta-D-glucose 6-phosphate(2-).
名称と識別子
- 優先名称
- Beta-D-Glucose 6-phosphate
- IUPAC
- [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
名称と別名
beta-D-Glucose 6-phosphatebeta-D-glucose-6-phosphate6-H2PO3Glcbeta6-O-phosphono-beta-D-glucopyranosebeta-D-glucose 6-(dihydrogen phosphate)beta-D-Glucose 6-phosphic acidCHEBI:17719{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid(((2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl)methoxy)phosphonic acidRefChem:937500GlyTouCan:G25562BMG25562BM
名称をさらに表示
methylidene((3,4,5,6-tetrahydroxyoxan-2-yl)methoxy)phosphoniteG6FRT62N3J15209-12-8beta-D-Glucopyranose 6-phosphateUNII-G6FRT62N3JCHEMBL257975beta-D-Glucopyranose, 6-(dihydrogen phosphate).beta.-D-Glucopyranose, 6-(dihydrogen phosphate)
データベース識別子
- CAS
15209-12-8- PubChem CID
- 439427
- DTXSID
DTXSID601344134- ChEMBL
CHEMBL257975- ChEBI
CHEBI:17719- UNII
- G6FRT62N3J
- Nikkaji
- J396.144C
物性
構造計算による物性
- XLogP
- -4.2
- 極性表面積
- 157 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 9
- 回転可能結合数
- 3
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 277
実験および物理化学的性質
LogP-3.643
Physical DescriptionSolid
化学と産業
薬理情報
Metabolite PathwaysFanconi-bickel syndrome
関連反応
21 件
化合物ノート
読み込み中…