CAS No.16758-34-2,PHENYL 1-THIO-BETA-D-GALACTOPYRANOSIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16758-34-2
Name:	PHENYL 1-THIO-BETA-D-GALACTOPYRANOSIDE
Article Data:	149

Formula:	C₁₂H₁₆O₅S
Molecular Weight:	272.322
Synonyms:	Galactopyranoside,phenyl 1-thio-, b-D-(6CI,8CI);Phenyl 1-thio-β-D-galactopyranoside;Phenyl 1-thio-β-D-galactoside;(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol;
EINECS:	240-818-7
Density:	1.48 g/cm³
Melting Point:	88-91°C
Boiling Point:	510.7 °C at 760 mmHg
Flash Point:	262.6 °C
Hazard Symbols:	T
Risk Codes:	23/24/25-36/37/38
Safety:	22-26-36-45
PSA:	115.45000
LogP:	-0.42140

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Specification

The β-D-Galactopyranoside, phenyl1-thio-, with the CAS registry number 16758-34-2, is also known as Phenyl 1-thio-β-D-galactopyranoside. It belongs to the product category of Carbohydrates. Its EINECS number is 238-686-0. This chemical's molecular formula is C₁₂H₁₆O₅S and molecular weight is 272.32. What's more, its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol.

Physical properties of β-D-Galactopyranoside, phenyl1-thio- are: (1)ACD/LogP: -0.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 71.45 Å²; (7)Index of Refraction: 1.667 ; (8)Molar Refractivity: 68.27 cm³; (9)Molar Volume: 183.2 cm³; (10)Polarizability: 27.06×10^-24cm³; (11)Surface Tension: 78.2 dyne/cm; (12)Density: 1.48 g/cm³; (13)Flash Point: 262.6 °C; (14)Enthalpy of Vaporization: 82.28 kJ/mol; (15)Boiling Point: 510.7 °C at 760 mmHg; (16)Vapour Pressure: 2.98E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)SC2C(C(C(C(O2)CO)O)O)O
(2)Isomeric SMILES: C1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
(3)InChI: InChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12+/m1/s1
(4)InChIKey: OVLYAISOYPJBLU-IIRVCBMXSA-N