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Substance Name: Ruberythric acid
RN: 152-84-1
UNII: 4360A2Y7JD
InChIKey: GCGGSVAWTYHZBI-CVQRFVFPSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C25-H26-O13

Molecular Weight

  • 534.467
 
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Names and Synonyms

Name of Substance

  • Ruberythric acid

Synonyms

  • 4-17-00-03462 (Beilstein Handbook Reference)
  • beta-D-1-Hydroxy-2-anthraquinonyl 6-O-beta-D-xylopyranosylglucopyranoside
  • BRN 0071586
  • CCRIS 4531
  • EINECS 205-808-9
  • Ruberythric acid
  • Rubianic acid
  • Rubierythric acid
  • UNII-4360A2Y7JD

Systematic Names

  • 1-Hydroxy-2-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)anthraquinone
  • Alizarin primeveroside
  • Glucopyranoside, 1-hydroxy-2-anthraquinonyl 6-O-beta-D-xylopyranosyl-, beta-D-

Registry Numbers

CAS Registry Number

  • 152-84-1

FDA UNII

  • 4360A2Y7JD

System Generated Number

  • 0000152841

Structure Descriptors

InChI

1S/C25H26O13/c26-12-7-35-24(22(33)18(12)29)36-8-14-20(31)21(32)23(34)25(38-14)37-13-6-5-11-15(19(13)30)17(28)10-4-2-1-3-9(10)16(11)27/h1-6,12,14,18,20-26,29-34H,7-8H2/t12-,14-,18+,20-,21+,22-,23-,24+,25-/m1/s1

InChIKey

GCGGSVAWTYHZBI-CVQRFVFPSA-N

Smiles

O1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1OC[C@@H]1[C@@H](O)[C@@H]([C@H]([C@@H](Oc2c(c3C(c4ccccc4C(c3cc2)=O)=O)O)O1)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 260 deg C   EXP
log P (octanol-water) -0.670 (none)   EST
Atmospheric OH Rate Constant 1.24E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.