4-O-[4-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-1,5,6-trideoxy-D-chiro-inositol (CAS 12650-71-4) — formula C26H45NO18, molecular weight 659.6; category organic chemicals.
| CAS Number | 12650-71-4 |
|---|---|
| Molecular Formula | C26H45NO18 |
| Molecular Weight | 659.6 |
| LogP | -8.4 |
| Category | Organic Chemicals |
4-O-[4-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-1,5,6-trideoxy-D-chiro-inositol is a carbon-based organic compound with CAS registry number 12650-71-4 and molecular formula C26H45NO18 (molecular weight 659.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 12650-71-4
Its molecular formula C26H45NO18 comprises 26 C, 45 H, 1 N, 18 O atoms.
Also known as: 4-O-[4-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-1,5,6-trideoxy-D-chiro-inositol · 4-O-[4-O-(α-D-吡喃葡萄糖基)-β-D-吡喃葡萄糖基]-5-(羟甲基)-1-[[(1S,4R,5S,6S)-4,5,6-三羟基-3-(羟甲基)-2-环己烯-1-基]氨基]-1,5,6-三脱氧-D-手性肌醇
Category: organic chemicals
The CAS registry number of 4-O-[4-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-1,5,6-trideoxy-D-chiro-inositol is 12650-71-4.
Molecular formula C26H45NO18, molecular weight 659.6.
It is also registered under: 4-O-[4-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-1,5,6-trideoxy-D-chiro-inositol, 4-O-[4-O-(α-D-吡喃葡萄糖基)-β-D-吡喃葡萄糖基]-5-(羟甲基)-1-[[(1S,4R,5S,6S)-4,5,6-三羟基-3-(羟甲基)-2-环己烯-1-基]氨基]-1,5,6-三脱氧-D-手性肌醇.
Category: Organic Chemicals.
Independent reference data for 4-O-[4-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-1,5,6-trideoxy-D-chiro-inositol (CAS 12650-71-4), compiled from public chemistry databases.
| CAS 号 | 12650-71-4 |
|---|---|
| PubChem CID | 202592 |
| 分子式 | C26H45NO18 |
| IUPAC 名称 | 2-[6-[2,3-dihydroxy-6-(hydroxymethyl)-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| UNII（FDA） | 48MQ6K49LC |
| Molecular Weight | 659.6 |
|---|---|
| XLogP3 | -8.4 |
| Hydrogen Bond Donor Count | 15 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 10 |
| Exact Mass | 659.26366359 |
| Monoisotopic Mass | 659.26366359 |
| Topological Polar Surface Area | 332 |
| Heavy Atom Count | 45 |
4-O-[4-O-(alpha-D-Glucopyranosyl)-beta-D-glucopyranosyl]-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydro; BRN 4631911; SCHEMBL5160665; DTXSID90925571; MAA65071
4-O-[4-O-(α-D-吡喃葡萄糖基)-β-D-吡喃葡萄糖基]-5-(羟甲基)-1-[[(1S,4R,5S,6S)-4,5,6-三羟基-3-(羟甲基)-2-环己烯-1-基]氨基]-1,5,6-三脱氧-D-手性肌醇 · CAS 12650-71-4 · C26H45NO18. UNII 48MQ6K49LC.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.