Levoglucosan

HCID 2724705
ノート反応

データを補完しています。通常は 1 分以内に完了します

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基本情報

CAS
498-07-7
標準SMILES
O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O
InChIKey
TWNIBLMWSKIRAT-VFUOTHLCSA-N
分子式
C6H10O5
平均分子量
162.14 g/mol
単同位体質量
162.05282342

名称と識別子

優先名称
Levoglucosan
IUPAC
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

名称と別名

Levoglucosan498-07-71,6-Anhydro-beta-D-glucopyranoseLeucoglucosan(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol1,6-Anhydro-beta-glucopyranose5132N17FSDCHEBI:30997beta-D-Glucopyranose, 1,6-anhydro-NSC-46243DTXSID90904321(1R,2S,3S,4R,5R)-6,8-dioxabicyclo(3.2.1)octane-2,3,4-triol
名称をさらに表示
RefChem:153210DTXCID301474706207-855-01,6-Anhydro-beta-D-glucoseGlucosan1,6-Anhydroglucose1,6-Anhydro-b-D-glucopyranose1,6-Anhydro-D-glucose

データベース識別子

CAS
498-07-7
PubChem CID
2724705
ChEMBL
CHEMBL3138649
ChEBI
CHEBI:30997
UNII
5132N17FSD
EC Number
207-855-0
Nikkaji
J12.571G

物性

構造計算による物性補完中

XLogP
-2.1
極性表面積
79.2 Ų
水素結合供与体数
3
水素結合受容体数
5
回転可能結合数
0
重原子数
11

実験および物理化学的性質

Solubility62.3 mg/mL
Melting Point183 °C
Physical DescriptionSolid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

.beta.-D-Glucopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard

.beta.-D-Galactopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 件

Acute Tox. 4 (25%)；Skin Irrit. 2 (25%)；Eye Irrit. 2 (25%)；STOT SE 3 (25%)

Acute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (25%)；Eye Irrit. 2A (25%)；Acute Tox. 4 (25%)；STOT SE 3 (25%)

法規制情報

Regulatory Information · 2 件

.beta.-D-Glucopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard

.beta.-D-Galactopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard

化学と産業

薬理情報

Cellular LocationsCytoplasm

サプライヤー18 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

関連反応

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