基本情報
- CAS
10139-18-1- 標準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- 分子式
- C6H14O12P2
- 平均分子量
- 340.12 g/mol
- 単同位体質量
- 339.99604915
概要
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-).
名称と識別子
- 優先名称
- Glucose 1,6-bisphosphate
- IUPAC
- [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
- 現地名
- β-D-グルコピラノース1,6-ビスりん酸
- 英語名
- alpha-D-glucose 1,6-bis(dihydrogen phosphate)
- 分子式
- C6H14O12P2
- 分子量
- 340.115682
名称と別名
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
名称をさらに表示
α-D-gluco-ヘキソピラノース1,6-ビスりん酸グルコース1,6-ビスりん酸α-D-グルコピラノース1,6-ビスりん酸β-D-グルコピラノース1,6-ビスりん酸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
データベース識別子
- CAS
10139-18-1- PubChem CID
- 82400
- DTXSID
DTXSID801014547- ChEBI
CHEBI:18148- UNII
- DRX17R6AM2
- EC Number
- 233-395-5
- Nikkaji
- J40.064E
物性
構造計算による物性
- XLogP
- -5.3
- 極性表面積
- 203 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 12
- 回転可能結合数
- 5
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 414
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
LogP-4.374
Physical DescriptionSolid
Collision Cross Section159.11 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
物理化学的性質
- 沸点
- 733.2 · 733.2±70.0 °C(Predicted)
- 比重(密度)
- 2.05 · 2.05±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 1.73 · 1.73±0.10(Predicted)
- EPAの化学物質情報
- 1 · .alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate) (10139-18-1)
安全と法規制
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Tissue LocationsPlacenta
Metabolite PathwaysGlycogen synthetase deficiency
用途と製造
General Manufacturing Information.alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate): ACTIVE
サプライヤー2 社
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
補足説明
定義ChEBI: A D-glucose 1,6-bisphosphate in which both phosphate groups are monophosphates.
関連反応
5 件
化合物ノート
読み込み中…