Basic information
- CAS
146440-32-6- Standard SMILES
CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc2c(N(C)C)cccc12- InChIKey
YVJGIGDFHMIDFH-FTWQHDNSSA-N- Molecular formula
- C19H26N2O7S
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.14607235
Overview
probe for the combining sites of N-acetyl-D-galactosamine-specific lectins; RN given refers to the (alpha-D-Galacto)-isomer
Names & identifiers
- Preferred name
- Methyl-N-dansylgalactosaminide
- IUPAC
- N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-5-(dimethylamino)naphthalene-1-sulfonamide
- English name
- methyl-N-dansylgalactosaminide
- Molecular formula
- C19H26N2O7S
- Molecular weight
- 426.48
Names & synonyms
Methyl-N-dansylgalactosaminideMDGA146440-32-6Methyl alpha-N-dansylgalactosaminideDTXSID90163375RefChem:158120DTXCID6085866methyl beta-N-dansylgalactosaminideSCHEMBL29366634Methyl 2-deoxy-2-[5-(dimethylamino)naphthalene-1-sulfonamido]-alpha-D-galactopyranosidealpha-D-Galactopyranoside, methyl 2-deoxy-2-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-α-D-Galactopyranoside, methyl 2-deoxy-2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]-
Database identifiers
- CAS
146440-32-6- PubChem CID
- 3036136
- DTXSID
DTXSID90163375
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 641
Physicochemical properties
- Boiling point
- 650.7 · 650.7±65.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 9.68 · 9.68±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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