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Basic Information
CAS No.: 98302-29-5
Name: BETA-D-GAL-[1->4]-BETA-D-GLC-1->OPR
Molecular Structure:
Molecular Structure of 98302-29-5 (BETA-D-GAL-[1->4]-BETA-D-GLC-1->OPR)
Formula: C15H28O11
Molecular Weight: 384.381
Synonyms: n-Propyl beta-lactoside;
Density: 1.53 g/cm3
Boiling Point: 652.1 °C at 760 mmHg
Flash Point: 348.2 °C
PSA: 178.53000
LogP: -3.96290
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Specification

The cas register number of n-Propyl beta-lactoside is 98302-29-5. It also can be called as Lactoside, propyl (7CI) and the Systematic name about this chemical is propyl 4-O-hexopyranosylhexopyranoside.

Physical properties about n-Propyl beta-lactoside are: (1)ACD/LogP: -2.10; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 11; (4)#H bond donors: 7; (5)#Freely Rotating Bonds: 14; (6)Polar Surface Area: 101.53Å2; (7)Index of Refraction: 1.591; (8)Molar Refractivity: 84.9 cm3; (9)Molar Volume: 250.9 cm3; (10)Polarizability: 33.65x10-24cm3; (11)Surface Tension: 80.6 dyne/cm; (12)Enthalpy of Vaporization: 110.03 kJ/mol; (13)Vapour Pressure: 9.11E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
(2)InChI: InChI=1/C15H28O11/c1-2-3-23-14-12(22)10(20)13(7(5-17)25-14)26-15-11(21)9(19)8(18)6(4-16)24-15/h6-22H,2-5H2,1H3
(3)InChIKey: HZJDMJJGLSPWNV-UHFFFAOYAH