2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose

HCID 2734154CAS 6386-24-9

基本情報

標準SMILES: OC1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIKey: OGOMAWHSXRDAKZ-BJPULKCASA-N
分子式: C34H36O6
平均分子量: 540.6 g/mol
単同位体質量: 540.25118887

名称と識別子

優先名称: 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose
IUPAC: (3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
英語名: 2,3,4,6-TETRA-O-BENZYL-D-GALACTOPYRANOSE
分子式: C34H36O6
分子量: 540.65

名称と別名

6386-24-92,3,4,6-tetrakis-O-(phenylMethyl)-D-GalactopyranoseDTXSID801224584RefChem:81285DTXCID501655851826-705-02,3,4,6-Tetra-O-benzyl-D-galactopyranoseMFCD00132927(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol2,3,4,6-tetra-O-benzyl-galactopyranoseC34H36O6(3R,4S,5S,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-ol

名称をさらに表示

TETRA-O-BENZYL-D-GALACTOPYRANOSED-Galactopyranose, 2,3,4,6-tetrakis-O-(phenylmethyl)-

2,3,4,6-Tetra-O-benzyl-D-galactose, >=98%(3R,4S,5S,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-olAMY365012,3,4,6-Tetra-O-benzyl-D-glucopyranose2,3,4,6-Tetra-O-benzyorb2941972SCHEMBL1900721OGOMAWHSXRDAKZ-BJPULKCASA-N

データベース識別子

CAS: 6386-24-9
PubChem CID: 2734154
DTXSID: DTXSID801224584
UNII: M534PC68U7
EC Number: 432-870-6、826-705-0
Nikkaji: J636.109I

物性

構造計算による物性

XLogP: 5
極性表面積: 66.4 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 13
重原子数: 40
形式電荷: 0
複雑度: 665

物理化学的性質

融点: 64 · 64-69°C
沸点: 672.4 · 672.4±55.0 °C(Predicted)
比重(密度): 1.22 · 1.22±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
外見: powder to crystal
酸解離定数(Pka): 11.87 · 11.87±0.70(Predicted)
色: White to Almost white
InChIKey: OGOMAWHSXRDAKZ-BJPULKCASA-N
SMILES: OC1O[C@H](COCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 09-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26335

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/13060

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

Skin Irrit. 2 (33.3%)

安全データ

wgk: 3
hs_code: 2940.00.6000
ストレージクラス: 11 - Combustible Solids

化学と産業

上流・下流製品情報

上流原料

D-Galactopyranoside, 2-propen-1-yl 2,3,4,6-tetrakis-O-(phenylmethyl)-Methyl 2,3,4,6-Tetra-O-benzyl-a-D-galactopyranoside

下流製品

O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)TRICHLOROACETIMIDATE

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