(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(sulfoox ymethyl)-6-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] oxy-oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2- carboxylic acid (CAS 22352-48-3) — formula C23H39NO22S, molecular weight 713.6; category organic chemicals.
| CAS Number | 22352-48-3 |
|---|---|
| Molecular Formula | C23H39NO22S |
| Molecular Weight | 713.6 |
| LogP | -8.1 |
| Category | Organic Chemicals |
(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(sulfoox ymethyl)-6-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] oxy-oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2- carboxylic acid is a carbon-based organic compound with CAS registry number 22352-48-3 and molecular formula C23H39NO22S (molecular weight 713.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 22352-48-3
Its molecular formula C23H39NO22S comprises 23 C, 39 H, 1 N, 22 O, 1 S atoms.
Also known as: (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(sulfoox ymethyl)-6-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] oxy-oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2- carboxylic acid · (2S,4S,5R,6R)-5-乙酰氨基-2-[(2R,3S,4S,5R,6S)-3,5-二羟基-2-(磺氧基甲基)-6-[(2R,3R,4S,5R)-4,5,6-三羟基-2-(羟甲基)氧杂环己烷-3-基]氧基-氧杂环己烷-4-基]氧杂环己烷-4-羟基-6-[(1S,2R)-1,2,3-三羟基丙基]氧杂环己烷-2-羧酸
Category: organic chemicals
The CAS registry number of (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(sulfoox ymethyl)-6-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] oxy-oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2- carboxylic acid is 22352-48-3.
Molecular formula C23H39NO22S, molecular weight 713.6.
It is also registered under: (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(sulfoox ymethyl)-6-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] oxy-oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2- carboxylic acid, (2S,4S,5R,6R)-5-乙酰氨基-2-[(2R,3S,4S,5R,6S)-3,5-二羟基-2-(磺氧基甲基)-6-[(2R,3R,4S,5R)-4,5,6-三羟基-2-(羟甲基)氧杂环己烷-3-基]氧基-氧杂环己烷-4-基]氧杂环己烷-4-羟基-6-[(1S,2R)-1,2,3-三羟基丙基]氧杂环己烷-2-羧酸.
Category: Organic Chemicals.
Independent reference data for (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(sulfoox ymethyl)-6-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] oxy-oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2- carboxylic acid (CAS 22352-48-3), compiled from public chemistry databases.
| CAS 号 | 22352-48-3 |
|---|---|
| PubChem CID | 3082206 |
| 分子式 | C23H39NO22S |
| IUPAC 名称 | (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(sulfooxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
| Molecular Weight | 713.6 |
|---|---|
| XLogP3 | -8.1 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 13 |
| Exact Mass | 713.16844305 |
| Monoisotopic Mass | 713.16844305 |
| Topological Polar Surface Area | 387 |
| Heavy Atom Count | 47 |
ANLS; N-Acetylneuraminlactose sulfate; N-Acetylneuramin lactose sulfate; N-Acetylneuraminoyllactose sulfate ester; 22352-48-3; RefChem:162781; GlyTouCan:G73540DV; G73540DV; D-Glucopyranose, O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-6-O-sulfo-beta-D-galactopyranosyl-(1-6)-; DTXSID00945008; CHEBI:153518; NeuAc(a2-3)Gal6S(b1-4)Glc; WURCS=2.0/3,3,2/[a2122h-1x_1-5][a2112h-1b_1-5_6*OSO/3=O/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2
(2S,4S,5R,6R)-5-乙酰氨基-2-[(2R,3S,4S,5R,6S)-3,5-二羟基-2-(磺氧基甲基)-6-[(2R,3R,4S,5R)-4,5,6-三羟基-2-(羟甲基)氧杂环己烷-3-基]氧基-氧杂环己烷-4-基]氧杂环己烷-4-羟基-6-[(1S,2R)-1,2,3-三羟基丙基]氧杂环己烷-2-羧酸 · CAS 22352-48-3 · C23H39NO22S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.