Ribonolactone

HCID 111064

基本情報

CAS: 3327-63-7
標準SMILES: O=C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey: CUOKHACJLGPRHD-BXXZVTAOSA-N
分子式: C5H8O5
平均分子量: 148.11 g/mol

概要

D-ribono-1,4-lactone is a five-membered form of ribonolactone having D-configuration. It has a role as a metabolite. It is a butan-4-olide and a ribonolactone. It is functionally related to a D-ribonic acid.

名称と識別子

優先名称: Ribonolactone
IUPAC: (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one
英語名: ribonolactone
分子式: C5H8O5
分子量: 148.11

名称と別名

Ribonolactone(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-oneD-Ribono-gamma-lactone64E63NC231Ribonic acid, gamma-lactone, D-NSC-1031RefChem:883599CHEBI:37434226-256-5D-Ribono-1,4-lactone5336-08-3D-Ribonolactone

名称をさらに表示

Ribono-1,4-lactoneRibonic acid, γ-lactoneL-Ribono-1,4-lactone-3327-63-7

D(+)-Ribonic acid gamma-lactone3327-63-7Ribono-gamma-lactoneD-(+)-Ribono-1,4-lactoneD-Ribopentono-1,4-lactoneD-(+)-Ribonic acid gamma-lactone(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-oneMFCD00063241

データベース識別子

CAS: 3327-63-7、5336-08-3
PubChem CID: 111064
DTXSID: DTXSID201347750
ChEMBL: CHEMBL607627
ChEBI: CHEBI:74168
UNII: 64E63NC231
EC Number: 226-256-5
Nikkaji: J217.896F

物性

構造計算による物性

XLogP: -1.4
極性表面積: 87 Å²
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: 1
重原子数: 10
形式電荷: 0
複雑度: 145

実験および物理化学的性質

Cosmetics · 2 件

Cosmetic ingredients (Ribonolactone) -> CIR (Cosmetic Ingredient Review)

Humectant

Melting Point83 - 85 °C

Physical DescriptionSolid

物理化学的性質

沸点: 364.3 · 364.3±11.0 °C(Predicted)
比重(密度): 1.667 · 1.667
酸解離定数(Pka): 12.1 · 12.10±0.60(Predicted)

安全と法規制

危険有害性情報

Regulatory Information · 2 件

Chemical: D-Ribonic acid, .gamma.-lactone

D-Ribonic acid, .gamma.-lactone: Does not have an individual approval but may be used under an appropriate group standard

毒性情報

Toxicity Summary · 2 件

Additionally, the Panel concluded the available data are insufficient to make a determination that Ribonolactone is safe under the intended conditions of use in cosmetic formulations.

The available data are insufficient to support safety