chempirical

Mangiferin

C19H18O11CAS 4773-96-0422.34 g/mol

Open in Covalent MOL file
OOHOHOHOOHOHOOHOHOH
AlcoholEtherPhenol

Properties

Molecular formula
C19H18O11
Molar mass
422.34 g/mol
Exact mass
422.0849 Da
Melting point
322 °C
logP
-0.72Crippen estimate
Polar surface area
201.3 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
2
Stereocentres
S, R, S, R, Rin SMILES atom order

Identifiers

CAS number
4773-96-0
SMILES
O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIKey
AEDDIBAIWPIIBD-ZJKJAXBQSA-N
InChI
InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 9H-Xanthen-9-one, 2-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
  • 2-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one
  • Hedysarid
  • Aphloiol
  • 1,3,6,7-Tetrahydroxyxanthone-C2-β-D-glucoside
  • Chinomin
  • 2-C-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxyxanthone
  • Alpizarine
  • Alpizarin
  • Chinonin
  • NSC 248870
  • Shamimin

Work with Mangiferin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Neomangiferin64809-67-280 % similar Isoorientin4261-42-163 % similar Isovitexin29702-25-861 % similar Isovitexin38953-85-461 % similar Lancerin81991-99-360 % similar 3′-Hydroxypuerarin117060-54-552 % similar Quercetagitrin548-75-451 % similar Orientin28608-75-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isomangiferin24699-16-9

Elsewhere

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