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Home > Encyclopedia > Rutin trihydrate

Rutin trihydrate

Rutin trihydrate structure

Rutin trihydrate 

structure
  • CAS No:

    250249-75-3

  • Formula:

    C27H30O163H2O

  • Chemical Name:

    Rutin trihydrate

  • 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

  • Categories:

    Analytical Chemistry  >  Analysis Reagents

Description

Yellow or greenish-yellow, crystalline powder.

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.

Rutin trihydrate Use and Manufacturing

Standard for analysis of herbal products.

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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