Input interpretation
malonic acid | 4-deoxy-4-amino-beta-D-glucose
Chemical names and formulas
| malonic acid | 4-deoxy-4-amino-beta-D-glucose formula | CH_2(COOH)_2 | C_6H_13NO_5 Hill formula | C_3H_4O_4 | C_6H_13NO_5 name | malonic acid | 4-deoxy-4-amino-beta-D-glucose IUPAC name | propanedioic acid | (2R, 3R, 4S, 5S, 6S)-5-amino-6-(hydroxymethyl)oxane-2, 3, 4-triol alternate names | carboxyacetic acid | dicarboxymethane | methanedicarboxylic acid | propanedioic acid | (none) mass fractions | C (carbon) 34.6% | H (hydrogen) 3.87% | O (oxygen) 61.5% | C (carbon) 40.2% | H (hydrogen) 7.31% | N (nitrogen) 7.82% | O (oxygen) 44.6%
Structure diagrams
| malonic acid | 4-deoxy-4-amino-beta-D-glucose vertex count | 7 | 12 edge count | 8 | 18 Schultz index | 176 | 728 Wiener index | 48 | 182 Hosoya index | 15 | 215 Balaban index | 2.953 | 2.634
3D structure
3D structure
Basic properties
| malonic acid | 4-deoxy-4-amino-beta-D-glucose molar mass | 104.06 g/mol | 179.17 g/mol phase | solid (at STP) | solid (at STP) melting point | 136 °C | boiling point | 387 °C | density | 1.669 g/cm^3 | solubility in water | very soluble |
Units
Hydrophobicity and permeability properties
| malonic acid | 4-deoxy-4-amino-beta-D-glucose predicted LogP hydrophobicity | -0.59 | -2.71 predicted LogS | 0.28 | 0.48