CAS No.156117-44-1,6-CHLORO-3-INDOXYL-N-ACETYL-BETA-D-GLUCOSAMINIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	156117-44-1
Name:	6-CHLORO-3-INDOXYL-N-ACETYL-BETA-D-GLUCOSAMINIDE

Formula:	C₁₆H₁₉ClN₂O₆
Molecular Weight:	370.78
Synonyms:	6-Chloro-3-indolyl-N-acetyl-beta-D-glucosaminide;
EINECS:	1533716-785-6
Density:	1.55 g/cm³
Boiling Point:	738 °C at 760 mmHg
Flash Point:	400.1 °C
PSA:	124.04000
LogP:	0.53470

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Specification

The cas register number of 6-Chloro-3-indolyl-N-acetyl-beta-D-glucosaminide is 156117-44-1. It also can be called as b-D-Glucopyranoside,6-chloro-1H-indol-3-yl 2-(acetylamino)-2-deoxy- and the Systematic name about this chemical is N-[(2S,3S,4S,5R,6S)-2-[(6-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide.

Physical properties about 6-Chloro-3-indolyl-N-acetyl-beta-D-glucosaminide are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)#H bond acceptors: 8; (6)#H bond donors: 5; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 124.04Å²; (9)Index of Refraction: 1.675; (10)Molar Refractivity: 89.8 cm³; (11)Molar Volume: 239 cm³; (12)Polarizability: 35.6x10^-24cm³; (13)Surface Tension: 79.2 dyne/cm; (14)Enthalpy of Vaporization: 112.99 kJ/mol; (15)Boiling Point: 738 °C at 760 mmHg; (16)Vapour Pressure: 7.22E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)NC1C(C(C(OC1Oc2c[nH]c3c2ccc(c3)Cl)CO)O)O
(2)InChI: InChI=1/C16H19ClN2O6/c1-7(21)19-13-15(23)14(22)12(6-20)25-16(13)24-11-5-18-10-4-8(17)2-3-9(10)11/h2-5,12-16,18,20,22-23H,6H2,1H3,(H,19,21)/t12-,13-,14-,15-,16+/m0/s1
(3)InChIKey: BPAUSWAPDXGBCS-UVPYHEFZBL
(4)Std. InChI: InChI=1S/C16H19ClN2O6/c1-7(21)19-13-15(23)14(22)12(6-20)25-16(13)24-11-5-18-10-4-8(17)2-3-9(10)11/h2-5,12-16,18,20,22-23H,6H2,1H3,(H,19,21)/t12-,13-,14-,15-,16+/m0/s1
(5)Std. InChIKey: BPAUSWAPDXGBCS-UVPYHEFZSA-N