D-手性肌醇,1,5,6-三脱氧-3-O-β-D-吡喃葡萄糖基-(CAS 37248-47-8):分子式 C20H35NO13、分子量 497.5。
| CAS号 | 37248-47-8 |
|---|---|
| 分子式 | C20H35NO13 |
| 分子量 | 497.5 |
| LogP | -6.3 |
D-手性肌醇,1,5,6-三脱氧-3-O-β-D-吡喃葡萄糖基- 是一种化工化合物,登记 CAS 号为 37248-47-8,分子式 C20H35NO13(分子量 497.5)。
登记 CAS 号:37248-47-8
其分子式 C20H35NO13 由 20 个碳、35 个氢、1 个氮、13 个氧 组成。
别名/同义词:D-手性肌醇,1,5,6-三脱氧-3-O-β-D-吡喃葡萄糖基- · D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-
D-手性肌醇,1,5,6-三脱氧-3-O-β-D-吡喃葡萄糖基- 的 CAS 登记号为 37248-47-8。
分子式 C20H35NO13,分子量 497.5。
别名/同义词:D-手性肌醇,1,5,6-三脱氧-3-O-β-D-吡喃葡萄糖基-、D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-。
D-手性肌醇,1,5,6-三脱氧-3-O-β-D-吡喃葡萄糖基-(CAS 37248-47-8)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 37248-47-8 |
|---|---|
| PubChem CID | 443629 |
| Molecular formula | C20H35NO13 |
| IUPAC name | (2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| UNII (FDA) | 313E9620QS |
| Molecular Weight | 497.5 |
|---|---|
| XLogP3 | -6.3 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 7 |
| Exact Mass | 497.21084017 |
| Monoisotopic Mass | 497.21084017 |
| Topological Polar Surface Area | 253 |
| Heavy Atom Count | 34 |
| Ionization Efficiency | 2.5 |
|---|---|
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
| Formulations/Preparations | 3%, 5% liquid, 0.3% dust |
Validamycin; VALIDAMYCIN A; 37248-47-8; Valimon; jinggangmycin; T-7545-A; DTXSID4058073; 313E9620QS; CHEBI:29703; RefChem:193569; DTXCID0031841; 609-372-4; Validacin; MFCD09028089; Validamycin A (>70%) Hydrochloride Salt; Cepex 10SL; Validacin
| Reported hazard statements | H302 (100%), H312 (100%), H332 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl- · CAS 37248-47-8 · C20H35NO13. UNII 313E9620QS. Ionization Efficiency: 2.5; Ionization Efficiency: 2.7; Ionization Efficiency: MeCN (80%).
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-