Basic information
- CAS
87084-52-4- Standard SMILES
NC(=O)CC[C@H]([NH2+]C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)[O-]- InChIKey
VPRLICVDSGMIKO-SZWOQXJISA-N- Molecular formula
- C11H22N2O8
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.13761566
Overview
See also: Mannopine (preferred).
Names & identifiers
- Preferred name
- N-1-(D-mannityl)-L-glutamine
- IUPAC
- (2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]azaniumyl]pentanoate
- English name
- MANNOPINE
- Molecular formula
- C11H22N2O8
- Molecular weight
- 310.3
Names & synonyms
N-1-(D-mannityl)-L-glutamineMANNOPINENα-(1-D-Mannityl)-L-glutamineL-Glutamine, N2-(1-deoxy-D-mannitol-1-yl)-D-Mannitol,1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-,(S)
Database identifiers
- CAS
87084-52-4- PubChem CID
- 90657202
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 797.9 · 797.9±60.0 °C(Predicted)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.19 · 2.19±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Additional notes
DefinitionChEBI: A hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyl denous plants by Agrobacterium tumefaciens.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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