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425427-87-8

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Basic Information
CAS No.: 425427-87-8
Name: 6-CHLORO-3-INDOXYL-BETA-D-CELLOBIOSIDE
Molecular Structure:
Molecular Structure of 425427-87-8 (6-CHLORO-3-INDOXYL-BETA-D-CELLOBIOSIDE)
Formula: C20H26ClNO11
Molecular Weight: 491.87
Synonyms: ROSE(TM)-CELLOBIOSIDE;Salmon-cellobioside;6-Chloro-3-indolyl beta-D-cellobioside;6-Chloro-3-indolyl β-D-cellobioside;6-Chloro-3-indolylb-D-cellobioside;
Density: 1.72g/cm3
Boiling Point: 834.2 °C at 760 mmHg
Flash Point: 458.3 °C
PSA: 194.32000
LogP: -2.17580
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Specification

The 6-Chloro-3-indolyl beta-D-cellobioside with cas registry number of 425427-87-8, is also called Salmon-cellobioside; 6-Chloro-3-indolyl β-D-cellobioside.

Physical properties of 6-Chloro-3-indolyl beta-D-cellobioside: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 12; (3)#H bond donors: 8; (4)#Freely Rotating Bonds: 13; (5)Polar Surface Area: 194.32 Å2; (6)Index of Refraction: 1.716; (7)Molar Refractivity: 112.03 cm3; (8)Molar Volume: 284.7 cm3; (9)Polarizability: 44.41×10-24cm3; (10)Surface Tension: 103.9 dyne/cm; (11)Enthalpy of Vaporization: 127.06 kJ/mol; (12)Vapour Pressure: 1.64E-29 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:c1cc2c(cc1Cl)[nH]cc2OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O; (2)InChI:InChI=1/C20H26ClNO11/c21-7-1-2-8-9(3-7)22-4-10(8)30-19-17(29)15(27)18(12(6-24)32-19)33-20-16(28)14(26)13(25)11(5-23)31-20/h1-4,11-20,22-29H,5-6H2/t11-,12-,13+,14+,15-,16-,17-,18+,19-,20+/m0/s1; (3)InChIKey:LPDLZDNDKZIJNA-JQXMDEMIBW; (4)Std. InChI:InChI=1S/C20H26ClNO11/c21-7-1-2-8-9(3-7)22-4-10(8)30-19-17(29)15(27)18(12(6-24)32-19)33-20-16(28)14(26)13(25)11(5-23)31-20/h1-4,11-20,22-29H,5-6H2/t11-,12-,13+,14+,15-,16-,17-,18+,19-,20+/m0/s1; (5)Std. InChIKey:LPDLZDNDKZIJNA-JQXMDEMISA-N.