CAS No.17334-58-6,PELARGONIN CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17334-58-6
Name:	PELARGONIN CHLORIDE

Formula:	C₂₇H₃₁ClO₁₅
Molecular Weight:	630.987
Synonyms:	1-Benzopyrylium,3,5-bis(b-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-,chloride (9CI);Pelargonin (6CI,7CI);Pelargonin (glycoside) (8CI);3,4',5,7-Tetrahydroxyflavylium, chloride, 3,5-diglucoside;3,5-Bis(b-D-glucopyranosyloxy)-4',7-dihydroxyflavyliumchloride;NSC 87526;Pelargonidin 3,5-di-O-glucoside;Pelargonidin 3,5-di-b-D-glucopyranoside;Pelargonidin3,5-di-b-D-glucoside;Pelargonidin3,5-diglucoside;Pelargonin chloride;
EINECS:	241-360-0
PSA:	252.36000
LogP:	-4.84650

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Specification

The 1-Benzopyrylium,3,5-bis(b-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-,chloride (1:1), with the CAS registry number 17334-58-6 and EINECS registry number 241-360-0, has the systematic name of 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-yl beta-D-glucopyranoside chloride. It belongs to the product category of Anthocyanins. And the molecular formula of the chemical is C₂₇H₃₁ClO₁₅. What's more, it should be stored at -20°C.

The characteristics of 1-Benzopyrylium,3,5-bis(b-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-,chloride (1:1) are as followings: (1)#H bond acceptors: 15; (2)#H bond donors: 10; (3)#Freely Rotating Bonds: 17; (4)Polar Surface Area: 142.36 Å².

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].O(c1c([o+]c3c(c1)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3)c4ccc(O)cc4)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
(2)InChI: InChI=1/C27H30O15.ClH/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27;/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1
(3)InChIKey: DIRROHKULXIUCB-DHJOXOLYBK