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| Name |
1-Benzopyrylium,3,5-bis(b-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-,chloride (1:1) |
EINECS | 241-360-0 |
| CAS No. | 17334-58-6 | Density | N/A |
| PSA | 252.36000 | LogP | -4.84650 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C27H31ClO15 | Boiling Point | N/A |
| Molecular Weight | 630.987 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
1-Benzopyrylium,3,5-bis(b-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-,chloride (1:1) 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
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