α-D-Galactopyranoside,6-chloro-1H-indol-3-yl supplier

Name
6-CHLORO-3-INDOLYL ALPHA-D-GALACTOPYRANOSIDE
EINECS 1533716-785-6
CAS No. 198402-61-8
Density 1.641 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₆ClNO₆
Boiling Point 630.228 °C at 760 mmHg
Molecular Weight 329.737
Flash Point 334.95 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Chloro-3-indolyl |A-D-galactopyranoside;Salmon |A-Gal;
PSA 115.17000
LogP 0.00000

α-D-Galactopyranoside,6-chloro-1H-indol-3-yl Specification

The α-D-Galactopyranoside,6-chloro-1H-indol-3-yl, with the CAS registry number198402-61-8 , is also known as 6-Chloro-1H-indol-3-yl α-D-galactopyranoside. This chemical's molecular formula is C₁₄H₁₆ClNO₆ and molecular weight is 329.7329. What's more, its IUPAC name is (2R,3R,4S,5R,6R)-2-[(6-Chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Physical properties about α-D-Galactopyranoside,6-chloro-1H-indol-3-yl are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20; (8)ACD/KOC (pH 7.4): 20; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 115.17 Å²; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 79.131 cm³; (15)Molar Volume: 200.904 cm³; (16)Polarizability: 31.37×10^-24cm³; (17)Surface Tension: 77.711 dyne/cm; (18)Density: 1.641 g/cm³; (19)Flash Point: 334.95 °C; (20)Enthalpy of Vaporization: 97.986 kJ/mol; (21)Boiling Point: 630.228 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc3cc2c(c(O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)cn2)cc3
(2) InChI: InChI=1/C14H16ClNO6/c15-6-1-2-7-8(3-6)16-4-9(7)21-14-13(20)12(19)11(18)10(5-17)22-14/h1-4,10-14,16-20H,5H2/t10-,11+,12+,13-,14+/m1/s1
(3) InChIKey: OQWBAXBVBGNSPW-HTOAHKCRBX

Product Name

6-CHLORO-3-INDOLYL ALPHA-D-GALACTOPYRANOSIDE

α-D-Galactopyranoside,6-chloro-1H-indol-3-yl Specification

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