Pyrrolidine-3,4-diol

CAS 9046-10-0 · C₄H₉NO₂ · MW 103.12 g/mol

Full record: Pyrrolidine-3,4-diol — Safety Data Sheet →

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二维结构

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Pyrrolidine-3,4-diol (CAS 9046-10-0), C4H9NO2 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL preview

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下载 3D 模型: Pyrrolidine-3,4-diol, C₄H₉NO₂, CAS 9046-10-0 · ENGRAVED (C, H, N, O) · 9 MB

Pyrrolidine-3,4-diol (CAS 9046-10-0), C4H9NO2 - 3D ball-and-stick molecular model, MolGod STL preview

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关于 Pyrrolidine-3,4-diol

Pyrrolidine-3,4-diol 是一种化学品，登记号为 CAS 9046-10-0，分子式为 C₄H₉NO₂，摩尔质量为 103.12 g/mol。

该分子包含 16 个原子，通过 16 个化学键连接。该化合物的完整系统 IUPAC 名称为 pyrrolidine-3,4-diol。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = -1.7 (负值，亲水性化合物)，极性表面积 PSA = 52.5 Å²，3 个氢键供体和 3 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。交互式3D模型和查看器图像受版权保护（© MolGod.org）——使用条款：molgod.org/copyright/。

理化性质

Molecular formula	C₄H₉NO₂
Molar mass	103.12 g/mol
IUPAC	pyrrolidine-3,4-diol
SMILES	`C1C(C(CN1)O)O`
InChIKey	`JCZPOYAMKJFOLA-UHFFFAOYSA-N`
logP (XLogP3)	-1.7
PSA	52.5 Å²
HBD / HBA	3 / 3
PubChem CID	CID 13329881 ↗

GHS 安全

信号词: 警告

GHS07

GHS07

H315 — 造成皮肤刺激

H319 — 造成严重眼刺激

H335 — 可引起呼吸道刺激

科学文献

Related literature

17 articles · 7 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 发表时间线（文章数：17）

柱高 = 当年的文章数量。将鼠标悬停在柱上可查看详情。

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Novel 2-[(benzylamino)methyl]pyrrolidine-3,4-diol derivatives as alpha-mannosidase inhibitors and with antitumor activities against hematological and solid malignancies.

et al. (2010)

Cytowania: 15Open AccessDOI ↗PubMed ↗PDF ↗

🔓

Synthesis and glycosidase inhibitory activities of 2-(aminoalkyl)pyrrolidine-3,4-diol derivatives.

et al. (2003)

Cytowania: 13Open AccessDOI ↗PubMed ↗PDF ↗

Synthesis and glycosidase inhibition evaluation of (3S,4S)-3-((R)-1,2-dihydroxyethyl)pyrrolidine-3,4-diol.

et al. (2016)

Cytowania: 2$ PaywallDOI ↗PubMed ↗

🔓

Synthesis of 2-(1-aminocyclopropyl)pyrrolidine-3,4-diol derivatives applying titanium-mediated reaction conditions

Delphine Declerck, Albert Nguyen Van Nhien, Solen Josse et al. (2012) · Tetrahedron

Cytowania: 6Open AccessDOI ↗PDF ↗

A Concise Synthesis of (2S,3S,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diol (LAB1)

Pradeep Kumar, Puspesh Upadhyay (2010) · Synthesis

Cytowania: 4$ PaywallDOI ↗

🔓

Pyrrolidine Derivatives as New Inhibitors of ?-Mannosidases and Growth Inhibitors of Human Cancer Cells

Hélène Fiaux, Catherine Schütz, Pierre Vogel et al. (2006) · CHIMIA

Cytowania: 3Open AccessDOI ↗PDF ↗

🔓

(3S,4S)-1-Benzyl-pyrrolidine-3,4-diol.

(2010)

Open AccessDOI ↗PubMed ↗PDF ↗

Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

H.Y. Li, K.F. Huang, T.P. Ko et al. (2024)

$ PaywallDOI ↗

Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2-(hydroxymethyl)-5-((methylamino)methyl)pyrrolidine-3,4-diol

H.Y. Li, K.F. Huang, T.P. Ko et al. (2024)

$ PaywallDOI ↗

🔓

Synthesis and cancer growth inhibitory activities of 2-fatty-alkylated pyrrolidine-3,4-diol derivatives

Pilar Elías-Rodríguez, Elena Moreno-Clavijo, Sebastián Carrión-Jiménez et al. (2014) · ARKIVOC

Open AccessDOI ↗PDF ↗

Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol

H.Y. Li, K.F. Huang, T.P. Ko et al. (2023) · Worldwide Protein Data Bank

$ PaywallDOI ↗

Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol

H.Y. Li, K.F. Huang, T.P. Ko et al. (2023) · Worldwide Protein Data Bank

$ PaywallDOI ↗

Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

H.Y. Li, K.F. Huang, T.P. Ko et al. (2023) · Worldwide Protein Data Bank

$ PaywallDOI ↗

Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-((dimethylamino)methyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

H.Y. Li, K.F. Huang, T.P. Ko et al. (2023) · Worldwide Protein Data Bank

$ PaywallDOI ↗

GOLGI ALPHA-MANNOSIDASE II complex with (2R,3R,4S)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol

D.A. Kuntz, D.R. Rose (2005) · Worldwide Protein Data Bank

$ PaywallDOI ↗

GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH (2R,3R,4S)-2-({[(1S)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol

D.A. Kuntz, D.R. Rose (2005) · Worldwide Protein Data Bank

$ PaywallDOI ↗

🔓

Synthesis of novel pyrrolidine 3,4-diol derivatives as inhibitors of alpha-L-fucosidases.

et al. (2009)

Cytowania: 23Open AccessDOI ↗PubMed ↗PDF ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

同义词

Pyrrolidine-3,4-diol · 473541-96-7 · RefChem:871085 · 819-919-0 · 9046-10-0 · Trans-3,4-pyrrolidinediol · 3,4-Pyrrolidinediol · 136779-52-7 · trans-pyrrolidine-3,4-diol · 3,4-dihydroxy-2h-pyrroline · SCHEMBL414574 · SCHEMBL978384 · JCZPOYAMKJFOLA-UHFFFAOYSA-N · MFCD18074103 · AKOS013013183

数据来源

📊 PubChem CID 13329881 — NIH
🔬 NIST WebBook — 光谱
💊 ChEMBL — 生物活性

相关分子

(1,1'-Bicyclohexyl)-4,4'-diol CAS 20601-38-1 · C12H22O2 Shared hazard H315 (3R)-Piperidin-3-amine--hydrogen chloride (1/2) CAS 334618-23-4 · C₅H₁₄Cl₂N₂ Shared hazard H315 Methyl beta-D-xylopyranoside CAS 612-05-5 · C6H12O5 Shared hazard H315 Menthol (CAS 1490-04-6) CAS 1490-04-6 · C10H20O Shared hazard H315 (-)-Menthol CAS 2216-51-5 · C10H20O Shared hazard H315

📜 许可与来源MolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

模型: Pyrrolidine-3,4-diol · 9046-10-0
InChIKey: JCZPOYAMKJFOLA-UHFFFAOYSA-N
许可协议: CC BY-SA 4.0 International
署名: MolGod Scientific — Pyrrolidine-3,4-diol (CAS 9046-10-0)
许可与来源记录: Pyrrolidine-3,4-diol (CAS 9046-10-0) →
MolGod 分子记录: Pyrrolidine-3,4-diol →
源数据: PubChem CID 13329881 ↗
模型信息: 由 MolGod 生成的 STL · MolGod STL Exporter build 48804cd20b0d · 生成于 2026-10-14
SHA-256 (STL): 758cf6b153595b5e8cbd6b1aea249d977ac041c41f84904949054d62239b13cf
MD5 (STL): aa363998d9c5aed455340a90b760ccd9
MolGod Identification Number: MG_659-928-868-81
转换: MolGod Scientific 球棍模型网格
更改: 转换为三角化分子网格；原子坐标与连接关系未改变。
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