Basic information
- CAS
29118-61-4- Standard SMILES
O=C(CN1CCC[C@H]1C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
QQBMYMKLRZUCDK-JZKKDOLYSA-N- Molecular formula
- C11H19NO7
- Average molar mass
- 277.27 g/mol
- Monoisotopic mass
- 277.11615195
Names & identifiers
- Preferred name
- N-(1-Deoxy-D-fructosyl)-L-proline
- IUPAC
- (2S)-1-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]pyrrolidine-2-carboxylic acid
- English name
- N-(1-Deoxy-D-fructose-1-yl)-L-proline
- Molecular formula
- C11H19NO7
- Molecular weight
- 277.27
Names & synonyms
29118-61-4fructose-prolineN-(1-Deoxy-D-fructosyl)-L-proline1-(1-Deoxy-D-fructos-1-yl)-L-prolineBM3B50NJ2O1-Deoxy-1-L-prolino-D-fructoseL-Proline, 1-(1-deoxy-D-fructos-1-yl)-RefChem:8235701-Deoxy-1-L-proline-D-fructoseN-(1-Deoxy-D-fructose-1-yl)-L-proline(2S)-1-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]pyrrolidine-2-carboxylic acidUNII-BM3B50NJ2O
Show more names
Fructose-proline (Mixture of diastereoMers)N-(1-deoxy-D-fructos-1-yl)-L-proline(S)-1-(2-Carboxy-1-pyrrolidinyl)-1-deoxy-D-fructose
Frucoste-proline1-(1-Deoxy-D-fructos-1-yl)-L-proline; (S)-1-(2-Carboxy-1-pyrrolidinyl)-1-deoxy-D-fructose; 1-Deoxy-1-L-proline-D-fructose; 1-Deoxy-1-L-prolino-D-fructose;orb3141910SCHEMBL10602508QQBMYMKLRZUCDK-JZKKDOLYSA-NDTXSID101306343MFCD28899048TN11510
Database identifiers
- CAS
29118-61-4
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 48 · 48-50°C
- Boiling point
- 625.1 · 625.1±55.0 °C(Predicted)
- Density
- 1.507 · 1.507±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly)
- form
- Solid
- pka
- 2.15 · 2.15±0.20(Predicted)
- color
- Pale Yellow to Dark Brown
- Stability
- Hygroscopic
- FDA UNII
- 3 B50NJ2O · BM3B50NJ2O
- EPA Substance Registry System
- 1 · 1-(1-Deoxy-D-fructos-1-yl)-L-proline (29118-61-4)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationL-Proline, 1-(1-deoxy-D-fructos-1-yl)-: INACTIVE
Applications
UsesAn Amadori compound having the potential to alter cellular adhesion, inhibit cancer metastasis and induce apoptosis.
Suppliers23 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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