(1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid (CAS 5945-50-6) — formula C16H22O11, molecular weight 390.34; category organic chemicals.
| CAS Number | 5945-50-6 |
|---|---|
| Molecular Formula | C16H22O11 |
| Molecular Weight | 390.34 |
| LogP | -3.1 |
| Category | Organic Chemicals |
(1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid is a carbon-based organic compound with CAS registry number 5945-50-6 and molecular formula C16H22O11 (molecular weight 390.34), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5945-50-6
Its molecular formula C16H22O11 comprises 16 C, 22 H, 11 O atoms.
Also known as: (1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid · 水晶兰苷
Category: organic chemicals
The CAS registry number of (1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid is 5945-50-6.
Molecular formula C16H22O11, molecular weight 390.34.
It is also registered under: (1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid, 水晶兰苷.
Category: Organic Chemicals.
Independent reference data for (1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid (CAS 5945-50-6), compiled from public chemistry databases.
| CAS 号 | 5945-50-6 |
|---|---|
| PubChem CID | 73466 |
| 分子式 | C16H22O11 |
| IUPAC 名称 | (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid |
| UNII（FDA） | 0Y61M84O2T |
| Molecular Weight | 390.34 |
|---|---|
| XLogP3 | -3.1 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 390.11621151 |
| Monoisotopic Mass | 390.11621151 |
| Topological Polar Surface Area | 186 |
| Heavy Atom Count | 27 |
Monotropein; 5945-50-6; 0Y61M84O2T; CHEBI:6988; NSC-88926; NSC-291303; RefChem:43496; Monotropeine; MFCD00238650; Monotropein, >=98% (HPLC); NSC88926; UNII-0Y61M84O2T; Monotropein CRS; NSC 88926; NSC 291303; Monotropein (Standard)
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
水晶兰苷 · CAS 5945-50-6 · C16H22O11. UNII 0Y61M84O2T.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 水晶兰苷