(2R)-2-Hydroxy-2-isobutylbutanedioic acid 1-methyl 4-[(1R,7aα)-hexahydro-1H-pyrrolizin-1-yl]methyl ester (CAS 31948-48-8) — formula C17H29NO5, molecular weight 327.4; category organic chemicals.
| CAS Number | 31948-48-8 |
|---|---|
| Molecular Formula | C17H29NO5 |
| Molecular Weight | 327.4 |
| LogP | 1.8 |
| Category | Organic Chemicals |
(2R)-2-Hydroxy-2-isobutylbutanedioic acid 1-methyl 4-[(1R,7aα)-hexahydro-1H-pyrrolizin-1-yl]methyl ester is a carbon-based organic compound with CAS registry number 31948-48-8 and molecular formula C17H29NO5 (molecular weight 327.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31948-48-8
Its molecular formula C17H29NO5 comprises 17 C, 29 H, 1 N, 5 O atoms.
Also known as: (2R)-2-Hydroxy-2-isobutylbutanedioic acid 1-methyl 4-[(1R,7aα)-hexahydro-1H-pyrrolizin-1-yl]methyl ester · (2R)-2-羟基-2-异丁基丁二酸1-甲基4-[(1R,7aα)-六氢-1H-吡咯嗪-1-基]甲酯
Category: organic chemicals
The CAS registry number of (2R)-2-Hydroxy-2-isobutylbutanedioic acid 1-methyl 4-[(1R,7aα)-hexahydro-1H-pyrrolizin-1-yl]methyl ester is 31948-48-8.
Molecular formula C17H29NO5, molecular weight 327.4.
It is also registered under: (2R)-2-Hydroxy-2-isobutylbutanedioic acid 1-methyl 4-[(1R,7aα)-hexahydro-1H-pyrrolizin-1-yl]methyl ester, (2R)-2-羟基-2-异丁基丁二酸1-甲基4-[(1R,7aα)-六氢-1H-吡咯嗪-1-基]甲酯.
Category: Organic Chemicals.
Independent reference data for (2R)-2-Hydroxy-2-isobutylbutanedioic acid 1-methyl 4-[(1R,7aα)-hexahydro-1H-pyrrolizin-1-yl]methyl ester (CAS 31948-48-8), compiled from public chemistry databases.
| CAS 号 | 31948-48-8 |
|---|---|
| PubChem CID | 134715018 |
| 分子式 | C17H29NO5 |
| IUPAC 名称 | 4-O-[[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl] 1-O-methyl (2S)-2-hydroxy-2-(2-methylpropyl)butanedioate |
| Molecular Weight | 327.4 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 327.20457303 |
| Monoisotopic Mass | 327.20457303 |
| Topological Polar Surface Area | 76.1 |
| Heavy Atom Count | 23 |
Cornucervine; 31948-48-8; orb1991671; AKOS040735077; FS-6690; T125053; 4-(((1R,7AS)-hexahydro-1H-pyrrolizin-1-yl)methyl) 1-methyl (S)-2-hydroxy-2-isobutylsuccinate
(2R)-2-羟基-2-异丁基丁二酸1-甲基4-[(1R,7aα)-六氢-1H-吡咯嗪-1-基]甲酯 · CAS 31948-48-8 · C17H29NO5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.