Basic information
- CAS
134954-46-4- Standard SMILES
O=C(O)CCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O- InChIKey
GCJQXFZHHRGWHB-QXOHVQIXSA-N- Molecular formula
- C10H19NO7
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.11615195
Overview
structure given in first source; RN given refers to the beta-D-GLUCO isomer
Names & identifiers
- Preferred name
- 2-N-(Carboxypropylamino)-2-deoxyglucopyranose
- IUPAC
- 4-[[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]butanoic acid
- English name
- 2-N-(carboxypropylamino)-2-deoxyglucopyranose
- Molecular formula
- C10H19NO7
- Molecular weight
- 265.26
Names & synonyms
2-N-(Carboxypropylamino)-2-deoxyglucopyranose134954-46-4DTXSID30159151RefChem:88430DTXCID4081642Ncpadg2-[(3-Carboxypropyl)amino]-2-deoxy-beta-D-glucopyranoseβ-D-Glucopyranose, 2-[(3-carboxypropyl)amino]-2-deoxy- (9CI)
Database identifiers
- CAS
134954-46-4- PubChem CID
- 196872
- DTXSID
DTXSID30159151
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 597.2 · 597.2±50.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 4.4 · 4.40±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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