Basic information
- CAS
487-99-0- Standard SMILES
CC(C)[C@@](O)(C(=O)OC[C@@H]1CCN2CCC[C@H]12)[C@@H](C)O- InChIKey
BWQSLRZZOVFVHJ-COMQUAJESA-N- Molecular formula
- C15H27NO4
- Average molar mass
- 285.38 g/mol
- Monoisotopic mass
- 285.19400834
Overview
Lindelofine has been reported in Gastrocotyle hispida and Amsinckia spectabilis with data available.
Names & identifiers
- Preferred name
- Lindelofine
- IUPAC
- [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
- English name
- (2S,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [(1R,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester
- Molecular formula
- C15H27NO4
- Molecular weight
- 285.38
Names & synonyms
Lindelofine487-99-0CCRIS 9198AZD4M8S1R4Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, (1R-(1alpha(2S*,3R*),7abeta))-UNII-AZD4M8S1R4DTXSID10197596[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoateBUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, ((1R,7AR)-HEXAHYDRO-1H-PYRROLIZIN-1-YL)METHYL ESTER, (2S,3R)-BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (HEXAHYDRO-1H-PYRROLIZIN-1-YL)METHYL ESTER, (1R-(1.ALPHA.(2S*,3R*),7A.BETA.))-((1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methyl (2S)-2-hydroxy-2-((1R)-1-hydroxyethyl)-3-methylbutanoateRefChem:153505
Show more names
(2S,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [(1R,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl esterButanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester, (2S,3R)-
DTXCID70120087(2S,3R)-((1R,7aR)-hexahydro-1H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-isopropylbutanoateorb1696458AKOS030504195((1R,7aR)-hexahydro-1H-pyrrolizin-1-yl)methyl (2S,3R)-2,3-dihydroxy-2-isopropylbutanoateT32763[(1R,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl (2S,3R)-2,3-dihydroxy-2-(propan-2-yl)butanoate
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Melting point
- 105 · 105-106 °C
- Boiling point
- 413.494 · 413.494±14.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.161 · 1.161±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.614 · 12.614±0.29(predicted)
- FDA UNII
- 4 M8S1R4 · AZD4M8S1R4
Chemistry & industry
Suppliers4 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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