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Lactulose
[CAS# 576-08-9]

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Identification
Name Lactulose
Synonyms (2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-Dihydroxy-2,5-Bis(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-4,5-Dihydroxy-2,5-Bis(Hydroxymethyl)-3-Tetrahydrofuranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-Dihydroxy-2,5-Dimethylol-Tetrahydrofuran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
Molecular Structure CAS#: 576-08-9, Lactulose
Molecular Formula C12H22O11
Molecular Weight 342.30
CAS Registry Number 576-08-9
SMILES [C@]2([C@H]([C@H](O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@H](O2)CO)O)(O)CO
InChI 1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1
InChIKey JCQLYHFGKNRPGE-FCVZTGTOSA-N
Properties
Density 1.8±0.1g/cm3 (Cal.)
Boiling point 680.5±55.0°C at 760 mmHg (Cal.)
Flash point 365.4±31.5°C (Cal.)
References
(1) Tapan Sanghvi, Nina Ni, Michael Mayersohn, Samuel H. Yalkowsky. Predicting Passive Intestinal Absorption Using A Single Parameter, QSAR Comb. Sci. 2003, 22(2), 247-257131 compounds and their 'Fraction Absorbed' values have been obtained from the table given in the paper. Some compounds had multiple values reported (as obtained from various references). These have been averaged and provided by us in the SDF and AMP files. The "Sanghvi_values.txt" file contains all data (as reported in Table 1) and "Sanghvi_avg_values.txt" contains averaged data for compounds with multiple entries (as reported in Table 2). "Benserazide, HCl" was retrieved as "Benserazide", "Ceftriaxone, Na" as "Ceftriaxone", "Foscarnet, Na" as "Foscarnet", "L-Dopa" as "Levodopa", "L-Leucine" as "Leucine" and "Triacrilast" as "Tiacrilast". The last compound was found to be mispelt as checked from the original reference.
(2) Zhao YH, Abraham MH, Le J, Hersey A, Luscombe CN, Beck G, Sherborne B, and Cooper I. Rate-limited Steps of Human Oral Absorption and QSAR Studies, Pharm Res., 2002, 19(10), 1446-57
(3) Susanne Striegler and Moses G. Gichinga. Disaccharide recognition by binuclear copper(ii) complexes, Chem. Commun., 2008, 5930.
Market Analysis Reports
List of Reports Available for Lactulose
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