(S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone

CAS 32780-06-6 · C₅H₈O₃ · MW 116.11 g/mol

关于 (S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone

(S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone 是一种化学品，登记号为 CAS 32780-06-6，分子式为 C₅H₈O₃，摩尔质量为 116.11 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 (5S)-5-(hydroxymethyl)oxolan-2-one。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 = -0.4 (负值，亲水性化合物)，极性表面积 PSA = 46.5 Å²，1 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。上方的小部件可用于教育、研究和商业用途。

理化性质

Molecular formula	C₅H₈O₃
Masa molowa	116.11 g/mol
IUPAC	(5S)-5-(hydroxymethyl)oxolan-2-one
SMILES	`C1CC(=O)O[C@@H]1CO`
InChIKey	`NSISJFFVIMQBRN-BYPYZUCNSA-N`
logP (XLogP3)	-0.4
PSA	46.5 Å²
HBD / HBA	1 / 3
PubChem CID	CID 2733813 ↗

GHS 安全

Signal word: Warning

GHS07

H302 — Działa szkodliwie po połknięciu

H412 — Działa szkodliwie na organizmy wodne, powodując długotrwałe skutki

科学文献

Related literature

5 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (5 articles)

Bar height = number of articles per year. Hover dla szczegółów.

🔓

2–Amino–9–((1S, 3R, 4R)–4–Hydroxy–3–(Hydroxymethyl)–2–Methylenecyclopentyl)–1H–Purin–6(9H)–One, 2–Amino–9–((1R, 3R, 4R)–4–Hydroxy–3–(Hydroxymethyl)–2–Methylenecyclopentyl)–1H–Purin–6(9H)–One, 2–Amino–9–((1R, 3R, 4S)–4–Hydroxy–3–(Hydroxymethyl)–2– Methylenecyclopentyl)–1H–Purin–6(9H)–One and 2–Amino–9–((1S, 3R, 4S)–4–Hydroxy–3–(Hydroxymethyl)–2–Methylenecyclopentyl)–1H–Purin–6(9H)–one–enhanced precatalyst preparation stabilization and initiation nano molecules

Alireza Heidari (2018) · Global Imaging Insights

Cytowania: 3Open AccessDOI ↗PDF ↗

Combined experimental and theoretical investigations on 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,9-dihydro-6H-purin-6-one 4-nitrophenol (IPNP) molecule

R.V. Kabilan, C. Arunagiri, G.R. Ramkumaar et al. (2022) · Journal of Molecular Structure

Cytowania: 4$ PaywallDOI ↗

A Simple and Efficient Path for the Synthesis Antineoplastic Agent (2R,3R,4S,5R)-5-(6-Amino-2-Chloropurin-9-yl)-4-Fluoro-2-(Hydroxymethyl) oxolan-3-ol (Clofarabine)

Laxmi Kumari Nagarapu, Chithaluri Sudhakar, Suresh Babu Namana (2024) · Letters in Organic Chemistry

Cytowania: 1$ PaywallDOI ↗

PHOTOINDUCED-ADDITION OF METHANOL TO (5S)-(5-O-tert-BUTYLDIMETHYLSILOXYMETHYL)FURAN-2(5H)-ONE: (4R,5S)-4-HYDROXYMETHYL-(5-O-tert-BUTYLDIMETHYLSILOXYMETHYL)FURAN-2(5H)-ONE

(1998) · Organic Syntheses

Cytowania: 10$ PaywallDOI ↗

Photoinduced‐Addition of Methanol to (5S)‐(5‐O‐tert‐Butyldimethylsiloxymethyl)Furan‐2(5H)‐One: (4R,5S)‐4‐Hydroxymethyl‐(5‐O‐tert‐Butyldimethylsiloxymethyl)Furan‐2(5H)‐One

John Mann, Alexander C. Weymouth‐Wilson (2003) · Organic Syntheses

$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

(S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone · RefChem:407632 · 680-050-3 · 32780-06-6 · (s)-5-(hydroxymethyl)dihydrofuran-2(3h)-one · (5S)-5-(hydroxymethyl)oxolan-2-one · (S)-(+)-Dihydro-5-(hydroxymethyl)furanone · (s)-5-hydroxymethyldihydrofuran-2-one · (S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone · MFCD00066224 · (S)-(+)-5-Hydroxymethyltetrahydro-2-furanone · (S)-(+)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone · (s)-5-(hydroxymethyl)-dihydrofuran-2(3h)-one · (5S)-(+)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one · (S)-(+)-2',3'-Dideoxyribonolactone

数据来源

📊 PubChem CID 2733813 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność