AG00DJZL

5041-67-8 | Kaempferol 3-arabinofuranoside

AG00DJZL

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CAS Number	5041-67-8
Catalog Number	AG00DJZL(AGN-PC-0S8CX1)
Chemical Name	Kaempferol 3-arabinofuranoside
IUPAC Name	3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI	InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2/t13-,15-,17+,20-/m0/s1
InChI Key	POQICXMTUPVZMX-UXYNSRGZSA-N
MDL Number	MFCD26406180
Molecular Formula	C20H18O10
Molecular Weight	418.3509
SMILES	O=C1C(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)=C(C3=CC=C(O)C=C3)OC4=CC(O)=CC(O)=C41
Synonyms	juglanin, kaempferol-3-O-alpha-L-arabinofuranoside, Juglanin, 5041-67-8, AC1NSX7X, Kaempferol 3-arabinofuranoside, CHEMBL469440, SCHEMBL16618210, HY-N3442, LMPK12111839, ZINC33832091, CS-7981, 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, C20H18O10, CID5318717, C20-H18-O10,

Complexity	673
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	418.09g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	418.354g/mol
Monoisotopic Mass	418.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	166A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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