HCID102424

2-keto-L-Gulonic acid

(3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid

C6H10O7194.14 g/molCAS 342385-52-8

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IDENTITY

结构与身份

标准SMILES: O=C(O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIKey: VBUYCZFBVCCYFD-NUNKFHFFSA-N
分子式: C6H10O7
平均分子量: 194.14 g/mol
单同位素质量: 194.04265265

COMPUTED

结构计算性质

已同步

XLogP: -2.9
极性表面积: 135 Å²
氢键供体: 5
氢键受体: 7
可旋转键: 5
重原子: 13
形式电荷: 0
复杂度: 201

GHS

GHS分类

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

HAZARDS

危害信息

Regulatory Information

Status: Active Update: 05-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2059

Hazard Classes and Categories

Eye Irrit. 2 (50%)；Eye Irrit. 2 (50%)

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

REGULATORY

法规信息

Regulatory Information

Status: Active Update: 05-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2059

ALIASES

名称与别名

共 64 条

2-Keto-L-gulonic acid526-98-7L-xylo-Hex-2-ulosonic acidL-xylo-2-Hexulosonic acidL-sorbosonic acid(3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acidL-Xylohexulosonic acid2-Oxo-l-gulonic acidL-KetoidonateL-sorbosonate2-Dehydro-L-idonateI49386U15CDTXSID901031512CHEBI:36602RefChem:87760GlyTouCan:G17407TXDTXCID101516528G17407TX208-403-52-oxo-L-gulonate

REACTIONS

相关反应

38 条

uspto-grants-1989_07 · 10.6084/m9.figshare.5104873.v1 · US04845246

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uspto-grants-1989_07 · 10.6084/m9.figshare.5104873.v1 · US04845246

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04155812

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04155812

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uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06320061B1

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06664082B1

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uspto-grants-2001_08 · 10.6084/m9.figshare.5104873.v1 · US06274744B1

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uspto-grants-1994_05 · 10.6084/m9.figshare.5104873.v1 · US05312741

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