プシコース

D-Psicose

HCID 441036

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 23140-52-5
標準SMILES: OCC1(O)OC[C@@H](O)[C@@H](O)[C@H]1O
InChIKey: LKDRXBCSQODPBY-JDJSBBGDSA-N
分子式: C6H12O6
平均分子量: 180.16 g/mol

概要

Psicopyranose is a monosaccharide.

名称と識別子

優先名称: D-Psicose
IUPAC: (3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
現地名: プシコース
英語名: psicose
分子式: C6H12O6
分子量: 180.16

名称と別名

psicopyranoseD-AltruloseD-PseudofructoseD-Erythro-hexuloseD-PsicopyranoseD-Ribo-2-ketohexulosePsicopyranosideD-Psicopyranoside(3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrolD-Ribo-Hexopyran-2-uloseD-Ribo-Hex-2-ulo-Pyranose(3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol

名称をさらに表示

プシコースAllulose SyrupD-Allulose syrupD-Psicose-23140-52-5allulose, piscose, psicoseSweeteners Allulose CAS 23140-52-5 Allulose D- Psicose Powder

SNFG:Psipsicose, (D)-Psi (SNFG)RefChem:53281GlyTouCan:G53469UZD-ribo-Hex-2-ulopyranoseD-psicose;D-ribo-hex-2-uloseDTXCID301476819

データベース識別子

CAS: 23140-52-5、551-68-8
PubChem CID: 441036
ChEBI: CHEBI:187912
EC Number: 208-999-7
Nikkaji: J1.575.934H

物性

構造計算による物性

XLogP: -2.8
極性表面積: 110 Å²
水素結合供与体数: 5
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 162

実験および物理化学的性質

Collision Cross Section · 2 件

137.6 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

137.7 Å² [M+Na]+

物理化学的性質

沸点: 551.7 · 551.7±50.0 °C(Predicted)
比重(密度): 1.589 · 1.589±0.06 g/cm3(Predicted)
酸解離定数(Pka): 11.86 · 11.86±0.20(Predicted)
化粧品成分の機能: スキンコンディショニング保湿剤
InChI: InChI=1/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6/s3
InChIKey: LKDRXBCSQODPBY-ZZHSYOLCNA-N
SMILES: [C@@H]1(O)[C@H](O)[C@@H](COC1(CO)O)O |&1:0,2,4,r|

安全と法規制

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野 · 1 件

説明D-Psicose, an epimer of d-fructose at position C3, is a rare sugar found in extremely small quantities in commercial carbohydrates or agricultural products. Psicose has been found in wheat, Itea plants, and processed cane and beet molasses. It is also present in small quantities in commercial complexes of d-glucose and d-fructose. It is 70% as sweet as sucrose (when compared to 10% solutions), and the caloric value is reported to be 0.007 kcal/g. Psicose is poorly absorbed in the digestive tract and has zero energy for growth; therefore, it may be useful as a low-calorie sweetener.