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99792-79-7

Basic Information
CAS No.: 99792-79-7
Name: CHLOROPHENOL RED-BETA-D-GALACTOPYRANOSID
Molecular Structure:
Molecular Structure of 99792-79-7 (CHLOROPHENOL RED-BETA-D-GALACTOPYRANOSID)
Formula: C25H22Cl2O10S
Molecular Weight: 585.41
Synonyms: b-D-Galactopyranoside,2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-3H-2,1-benzoxathiol-3-yl]phenyl,S,S-dioxide;3H-2,1-Benzoxathiole, β-D-galactopyranoside deriv.;CPRG;Chlorophenol red β-D-galactoside;β-D-Galactopyranoside, 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]phenyl;
EINECS: 1592732-453-0
Density: 1.661 g/cm3
Boiling Point: 791.4 °C at 760 mmHg
Flash Point: 432.4 °C
PSA: 171.36000
LogP: 2.96930
Synthetic route
99792-79-7

chlorophenol red mono-β-D-galactopyranoside

chlorophenol red

Conditions
ConditionsYield
With β-galactosidase at 25℃; pH=7.4; aq. phosphate buffer;
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  • Chlorophenol red b-D-galactopyranoside

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  • CHLOROPHENOL RED-BETA-D-GALACTOPYRANOSID

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  • 99792-79-7

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    99792-79-7

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Specification

The Chlorophenol red β-D-galactopyranoside, with the CAS registry number 99792-79-7, is also known as β-D-Galactopyranoside, 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]phenyl. This chemical's molecular formula is C25H22Cl2O10S and molecular weight is 585.41. What's more, its systematic name is 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]phenyl β-D-galactopyranoside. It is a chromogenic substrate used for detection of beta-galactosidase in transfected mammalian cells.

Physical properties of Chlorophenol red β-D-galactopyranoside are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 18.85; (6)ACD/BCF (pH 7.4): 14.2; (7)ACD/KOC (pH 5.5): 284.41; (8)ACD/KOC (pH 7.4): 214.25; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 116.36 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 135.75 cm3; (15)Molar Volume: 352.3 cm3; (16)Polarizability: 53.81×10-24cm3; (17)Surface Tension: 75.4 dyne/cm; (18)Density: 1.661 g/cm3; (19)Flash Point: 432.4 °C; (20)Enthalpy of Vaporization: 120.72 kJ/mol; (21)Boiling Point: 791.4 °C at 760 mmHg; (22)Vapour Pressure: 2.13E-26 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(O)ccc(c1)C3(OS(=O)(=O)c2ccccc23)c5ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(Cl)c5
(2)InChI: InChI=1S/C25H22Cl2O10S/c26-15-9-12(5-7-17(15)29)25(14-3-1-2-4-20(14)38(33,34)37-25)13-6-8-18(16(27)10-13)35-24-23(32)22(31)21(30)19(11-28)36-24/h1-10,19,21-24,28-32H,11H2/t19-,21+,22+,23-,24-,25?/m1/s1
(3)InChIKey: UYYRDZGZGNYVBA-VPXCCNNISA-N