RUTINHYDRATE95
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RUTINHYDRATE95
structure -
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CAS No:
207671-50-9
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Formula:
C27H32O17
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Chemical Name:
RUTINHYDRATE95
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Synonyms:
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, hydrate (1:);Rutin hydrate (Rutoside hydrate;Quercetin 3-O-rutinoside hydrate);Rutin hydrate (Synonyms: Rutoside hydrate;Globularicitrin Hydrate;Myrtomelin Hydrate;Quercetin-3-rutinoside Hydrate;Rutoside Hydrate
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CAS No:
Safety Information
3
22
VM2975000
Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:628.5
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:6
Exact Mass:628.16394955
Monoisotopic Mass:628.16394955
Topological Polar Surface Area:267
Heavy Atom Count:44
Complexity:1020
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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