CAS No.87508-17-6,Phenyl 4,6-o-benzylidene-1-thio-beta-d-glucopyranoside Suppliers

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Basic Information

Molecular Structure:
CAS No.:	87508-17-6
Name:	Phenyl 4,6-o-benzylidene-1-thio-beta-d-glucopyranoside
Article Data:	39

Formula:	C₁₉H₂₀O₅S
Molecular Weight:	360.431
Synonyms:	β-D-Glucopyranoside, phenyl 4,6-O-(phenylmethylene)-1-thio-;(4aR,6S,7R,8R,8aS)-2-Phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol;
Density:	1.397 g/cm³
Melting Point:	185 °C
Boiling Point:	581.153 °C at 760 mmHg
Flash Point:	305.271 °C
PSA:	93.45000
LogP:	2.33960

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Specification

The Phenyl 4,6-o-benzylidene-1-thio-beta-d-glucopyranoside with CAS registry number of 87508-17-6 is also known as β-D-Glucopyranoside, phenyl 4,6-O-(phenylmethylene)-1-thio-. The systematic name is (4aR,6S,7R,8R,8aS)-2-Phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol. It belongs to product categories of Glycosyl Donors; Biochemistry; Glucose; Sugars; Thioglycosides. In addition, the formula is C₁₉H₂₀O₅S and the molecular weight is 360.42.

Physical properties about Phenyl 4,6-o-benzylidene-1-thio-beta-d-glucopyranoside are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.865; (4)ACD/LogD (pH 7.4): 2.865; (5)ACD/BCF (pH 5.5): 88.64; (6)ACD/BCF (pH 7.4): 88.64; (7)ACD/KOC (pH 5.5): 862.433; (8)ACD/KOC (pH 7.4): 862.426; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.666; (13)Molar Refractivity: 95.969 cm³; (14)Molar Volume: 257.978 cm³; (15)Surface Tension: 65.603 dyne/cm; (16)Density: 1.397 g/cm³; (17)Flash Point: 305.271 °C; (18)Enthalpy of Vaporization: 91.42 kJ/mol; (19)Boiling Point: 581.153 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: c1ccc(cc1)C2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@@H](O3)Sc4ccccc4)O)O
2. InChI: InChI=1/C19H20O5S/c20-15-16(21)19(25-13-9-5-2-6-10-13)23-14-11-22-18(24-17(14)15)12-7-3-1-4-8-12/h1-10,14-21H,11H2/t14-,15-,16-,17-,18?,19+/m1/s1
3. InChIKey: BDNIQCYVYFGHSI-LELVVPQVBC
4. Std. InChI: InChI=1S/C19H20O5S/c20-15-16(21)19(25-13-9-5-2-6-10-13)23-14-11-22-18(24-17(14)15)12-7-3-1-4-8-12/h1-10,14-21H,11H2/t14-,15-,16-,17-,18?,19+/m1/s1
5. Std. InChIKey: BDNIQCYVYFGHSI-LELVVPQVSA-N