D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl- (CAS 37248-47-8) — formula C20H35NO13, molecular weight 497.5; category organic chemicals.
| CAS Number | 37248-47-8 |
|---|---|
| Molecular Formula | C20H35NO13 |
| Molecular Weight | 497.5 |
| LogP | -6.3 |
| Category | Organic Chemicals |
D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl- is a carbon-based organic compound with CAS registry number 37248-47-8 and molecular formula C20H35NO13 (molecular weight 497.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 37248-47-8
Its molecular formula C20H35NO13 comprises 20 C, 35 H, 1 N, 13 O atoms.
Also known as: 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-
Category: organic chemicals
The CAS registry number of D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl- is 37248-47-8.
Molecular formula C20H35NO13, molecular weight 497.5.
It is also registered under: 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-.
Category: Organic Chemicals.
Independent reference data for D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl- (CAS 37248-47-8), compiled from public chemistry databases.
| 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%).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.