AG00C3AL

207671-50-9 | Rutin trihydrate

AG00C3AL

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CAS Number	207671-50-9
Catalog Number	AG00C3AL(AGN-PC-0WANSL)
Chemical Name	Rutin trihydrate
IUPAC Name	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-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate
InChI	InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1
InChI Key	NLLBWFFSGHKUSY-JPRRWYCFSA-N
MDL Number	MFCD00149490
Molecular Formula	C27H32O17
Molecular Weight	628.5328
SMILES	O=C1C(O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]5[C@@H]([C@@H]([C@H]([C@H](C)O5)O)O)O)O4)O)O)O)=C(C3=CC=C(O)C(O)=C3)OC2=CC(O)=CC(O)=C12.[H]O[H]
UNII	RF4N03853G
Synonyms	Rutoside trihydrate, 250249-75-3, Rutin trihydrate, (+)-Rutin trihydrate, UNII-RF4N03853G, Rutin hydrate, RF4N03853G, MFCD00149490, Vitamin P hydrate, Quercetin-3-rutinoside hydrate, 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, 207671-50-9, Rutoside trihydrate [EP], Rutin hydrate (JAN), (+)-Rutin trihydrate, 95%, KS-00000YGN, RUTIN (99%), DTXSID50179735, C27H30O16.3H2O, Rutin trihydrate, >=90% (HPLC), 6749AF, Rutin trihydrate, analytical standard, AKOS025310161, GS-3606, 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-l-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, trihydrate, ST24049136, D00190, Quercetin-3-rutinoside trihydrate, Vitamin P trihydrate, Rutin trihydrate, primary pharmaceutical reference standard, Rutoside trihydrate, European Pharmacopoeia (EP) Reference Standard, Rutin trihydrate, United States Pharmacopeia (USP) Reference Standard, 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-, 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-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-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-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one trihydrate, Vitamin P trihydrate, RUTIN, Quercetin-3-rutinoside, Quercetin-3-rutinoside trihydrate, CS-O-05209, Rutin Trihydrate for biochemistry 25gm, 153-18-4,

Complexity	1020
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	664.185g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	19
Hydrogen Bond Donor Count	13
Isotope Atom Count	0
Molecular Weight	664.566g/mol
Monoisotopic Mass	664.185g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	269A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P264-P270-P301+P312-P330-P501
UN Code	\N

Certificate of Analysis

Lot Number