α-D-キシロピラノース

alpha-D-Xylopyranose

HCID 6027CAS 6763-34-4

基本情報

標準SMILES: O[C@@H]1[C@@H](O)[C@@H](O)OC[C@H]1O
InChIKey: SRBFZHDQGSBBOR-LECHCGJUSA-N
分子式: C5H10O5
平均分子量: 150.13 g/mol
単同位体質量: 150.05282342

概要

Alpha-D-xylose is a D-xylopyranose in with an alpha-configuration at the anomeric position. It has a role as an algal metabolite.

名称と識別子

優先名称: alpha-D-Xylopyranose
IUPAC: (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol
現地名: α-D-キシロピラノース
英語名: D-Xylose
分子式: C5H10O5
分子量: 150.13

名称と別名

Alpha-d-xylopyranose6763-34-4alpha-D-XyloseHolzzuckerLosanC791ZE5K1Walpha-xyloseCHEBI:28518RefChem:555686GlyTouCan:G03144EFG03144EF608-587-0

名称をさらに表示

α-D-キシロピラノースA-D-キシロピラノース(2S,3R,4S,5R)-オキサン-2,3,4,5-テトラオールD(+)-Xyloseα-D-Xylosed-xylose priceD-Xylose BP93/ USP23(3R,4S,5R)-oxane-2,3,4,5-tetrol

a-D-Xylopyranose(2S,3R,4S,5R)-oxane-2,3,4,5-tetrolalpha-Xylopyranose (9CI)130550-15-1Pentopyranose #MFCD20731172(2S,3R,4S,5R)-tetrahydro-2H-pyran-2,3,4,5-tetraolrel-(2S,3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetraol

データベース識別子

CAS: 6763-34-4
PubChem CID: 6027
DTXSID: DTXSID301316752
ChEBI: CHEBI:28518
UNII: C791ZE5K1W
EC Number: 614-092-0
Nikkaji: J8.437I

物性

構造計算による物性

XLogP: -2.5
極性表面積: 90.2 Å²
水素結合供与体数: 4
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 117

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesCrystal structure

物理化学的性質

融点: 148 · 148-153 ºC
沸点: 333.2 · 333.2±42.0 °C(Predicted)
比重(密度): 1.0348952 g/cm3 · 1.0348952 g/cm3
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 12.14 · 12.14(at 18℃)
外見: Solid
色: White to off-white

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationChemical: .alpha.-D-Xylopyranose

Other Safety InformationIMAP assessments - .alpha.-D-Xylopyranose: Environment tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2932990090
safety_code: 22-24/25

化学と産業

応用分野

説明D-Xylose is a five-carbon sugar that contributes to lignocellulose in plants. It is predominantly found in hardwoods and agricultural residues.

使用D-Xylose can be used as a diagnostic aid (bowel function tests).

上流・下流製品情報

下流製品

D-(+)-キシロース Benzyl-a-D-xylopyranoside

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