Rutin trihydrate
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Rutin trihydrate
structure -
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CAS No:
250249-75-3
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Formula:
C27H30O163H2O
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Chemical Name:
Rutin trihydrate
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Synonyms:
Quercetin-3-rutinosidetrihydrate,VitaminPtrihydrate;(+)-Rutin trihydrate Rutoside Rutin;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one trihydrate;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one trihydrate
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CAS No:
Rutin trihydrate Basic Attributes
664.566
324.26600
75455
205-814-1
RF4N03853G
DTXSID50179735
2938100000
Characteristics
269
6.34500
1.82g/cm3
195°C
983.1ºC at 760mmHg
325.4ºC
1.764
soluble in DMSO, acetone, dichloromethane or ethyl acetate. Insoluble in water.
Safety Information
NONH for all modes of transport
3
22
S22-S24/25
VM2975000
Xn
P301 + P312 + P330
H302
|Warning|H302 (61.54%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 65 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:664.6
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:6
Exact Mass:664.18507891
Monoisotopic Mass:664.18507891
Topological Polar Surface Area:269
Heavy Atom Count:46
Complexity:1020
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes
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