CAS No.63902-38-5,PINORESINOL DIGLUCOSIDE(P)(PLEASE CALL) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63902-38-5
Name:	PINORESINOL DIGLUCOSIDE(P)(PLEASE CALL)

Formula:	C₃₂H₄₂O₁₆
Molecular Weight:	682.676
Synonyms:	b-D-Glucopyranoside,(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2-methoxy-4,1-phenylene) bis-,[1S-(1a,3aa,4a,6aa)]-;(+)-Pinoresinol 4,4'-O-bisglucopyranoside;(+)-Pinoresinol di-O-b-D-glucopyranoside;Pinoresinoldi-b-D-glucoside;Pinoresinol diglucoside;
Density:	1.498g/cm³
Melting Point:	250-251 °C
Boiling Point:	917.3 °C at 760 mmHg
Flash Point:	508.6 °C
PSA:	235.68000
LogP:	-1.86360

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Specification

The Pinoresinol diglucoside with the CAS number 63902-38-5 is also called b-D-Glucopyranoside,[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2-methoxy-4,1-phenylene)bis-. The systematic name is 4-{(1S,3aR,4S,6aR)-4-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl β-D-glucopyranoside. Its molecular formula is C₃₂H₄₂O₁₆.

The properties of the chemical are: (1)ACD/LogP: -2.92; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.92; (4)ACD/LogD (pH 7.4): -2.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 16; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 147.68 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 162.59 cm³; (15)Molar Volume: 455.5 cm³; (16)Polarizability: 64.45×10^-24cm³; (17)Surface Tension: 65.9 dyne/cm; (18)Enthalpy of Vaporization: 139.75 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(OC)cc(cc1)[C@H]3OC[C@@H]2[C@H](OC[C@@H]23)c5ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c5)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO
(2)InChI: InChI=1/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1
(3)InChIKey: ZJSJQWDXAYNLNS-FUPWJLLWBZ