Basic Information | Post buying leads | Suppliers | Cas Database |
The CAS register number of α-D-Galactopyranoside,5-bromo-6-chloro-1H-indol-3-yl is 198402-60-7. It also can be called as 5-Bromo-6-chloro-1H-indol-3-yl α-L-glucopyranoside and the systematic name about this chemical is (2S,3S,4R,5R,6S)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol. The molecular formula about this chemical is C14H15BrClNO6 and the molecular weight is 408.63.
Physical properties about α-D-Galactopyranoside,5-bromo-6-chloro-1H-indol-3-yl 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: 7; (6)#H bond donors: 5; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 115.17Å2; (9)Index of Refraction: 1.731; (10)Molar Refractivity: 86.82 cm3; (11)Molar Volume: 217 cm3; (12)Polarizability: 34.41x10-24cm3; (13)Surface Tension: 78.8 dyne/cm; (14)Flash Point: 361.3 °C; (15)Enthalpy of Vaporization: 103.96 kJ/mol; (16)Boiling Point: 673.9 °C at 760 mmHg; (17)Vapour Pressure: 4.44E-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(cc(c1Br)Cl)[nH]cc2OC3C(C(C(C(O3)CO)O)O)O
(2)InChI: InChI=1/C14H15BrClNO6/c15-6-1-5-8(2-7(6)16)17-3-9(5)22-14-13(21)12(20)11(19)10(4-18)23-14/h1-3,10-14,17-21H,4H2/t10-,11-,12+,13-,14+/m0/s1
(3)InChIKey: CHRVKCMQIZYLNM-PDWCTOEPBY
(4)Std. InChI: InChI=1S/C14H15BrClNO6/c15-6-1-5-8(2-7(6)16)17-3-9(5)22-14-13(21)12(20)11(19)10(4-18)23-14/h1-3,10-14,17-21H,4H2/t10-,11-,12+,13-,14+/m0/s1
(5)Std. InChIKey: CHRVKCMQIZYLNM-PDWCTOEPSA-N