2,3,4,6-Tetra-O-pivaloyl-beta-D-galactopyranosylamine
基本情報
- CAS
108342-87-6- 標準SMILES
CC(C)(C)C(=O)OC[C@H]1O[C@@H](N)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C- InChIKey
IPRZVEFFDTWBGV-DISONHOPSA-N- 分子式
- C26H45NO9
- 平均分子量
- 515.6 g/mol
- 単同位体質量
- 515.30943201
名称と識別子
- 優先名称
- 2,3,4,6-Tetra-O-pivaloyl-beta-D-galactopyranosylamine
- IUPAC
- [(2R,3S,4S,5R,6R)-6-amino-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
- 英語名
- 2,3,4,6-Tetra-O-pivaloyl-D-galactopyranosylamine
- 分子式
- C26H45NO9
- 分子量
- 515.64
名称と別名
108342-87-62,3,4,6-Tetra-O-pivaloyl-beta-D-galactopyranosylamineDTXSID10428796RefChem:243933DTXCID30379630621-990-62,3,4,6-TETRA-O-PIVALOYL-D-GALACTOPYRANOSYLAMINEMFCD00153054[(2R,3S,4S,5R,6R)-6-amino-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate[(2R,3S,4S,5R,6R)-6-AMINO-3,4,5-TRIS[(2,2-DIMETHYLPROPANOYL)OXY]OXAN-2-YL]METHYL 2,2-DIMETHYLPROPANOATE2,3,4,6-Tetra-O-pivaloyl-b-D-galactopyranosyl amineC26H45NO9
名称をさらに表示
2,3,4,6-Tetra-O-pivaloyl-2,3,4,6-Tetra-O-pivaloyl-b-D-galactopyranosylamine2,3,4,6-Tetra-O-pivaloyl-β-D-galactopyranosylamine2,3,4,6-Tetra-O-pivaloyl-β-D-galactopyranosylamine2,3,4,6-TETRA-O-PIVALOYL-SS-D-GALACTOPYRANOSYLAMINE2,3,4,6-TETRA-O-PIVALOYL-D-GALACTOPYRANOSYLAMINE 99+%2,3,4,6-Tetra-O-Pivaloy-Beta-D-Galacto- PyranosylamineN-(2,3,4,6-tetra-O-pivaloyl-β-D-galactopyranosyl)amine
IPRZVEFFDTWBGV-DISONHOPSA-N2,3,4,6-tetra-O-pivaloyl-beta-D-galacto-pyranosyl2,3,4,6-Tetra-O-pivaloyl-|A-D-galactopyranosylamineSCHEMBL2224141(2R,3R,4S,5S,6R)-2-Amino-6-((pivaloyloxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate)b-D-Galactopyranosylamine, 2,3,4,6-tetrakis(2,2-dimethylpropanoate)AKOS015841100MT06767
データベース識別子
- CAS
108342-87-6- PubChem CID
- 7567026
- DTXSID
DTXSID10428796- EC Number
- 621-990-6
- Nikkaji
- J688.134C
物性
構造計算による物性
- XLogP
- 5.4
- 極性表面積
- 140 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 10
- 回転可能結合数
- 13
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 824
物理化学的性質
- 融点
- 92 · 92-95 °C(lit.)
- 沸点
- 528.7 · 528.7±50.0 °C(Predicted)
- 比重(密度)
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 6.96 · 6.96±0.70(Predicted)
- InChIKey
- IPRZVEFFDTWBGV-KOPZTVCZNA-N
- SMILES
- [C@H]1(OC(=O)C(C)(C)C)[C@@H](COC(=O)C(C)(C)C)O[C@@H](N)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C |&1:0,8,18,20,28,r|
化学的性質
化学的特性White to off-white powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information.beta.-D-Galactopyranosylamine, 2,3,4,6-tetrakis(2,2-dimethylpropanoate): Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- F
- 9
- wgk
- 3
- hs_code
- 29329990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
応用分野
使用2,3,4,6-Tetra-O-pivaloyl-D-galactopyranosylamine (CAS# 108342-87-6) is a useful building block used in the diastereoselective synthesis of adjacent P,C-stereogenic β-N-glycosidic linked α-aminophosphinates.
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