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Substance Name: alpha-D-Galactopyranose, pentabutanoate
RN: 125161-50-4
InChIKey: URBLVNWOCAGFPV-JKYBTISASA-N

Molecular Formula

  • C26-H42-O11

Molecular Weight

  • 530.6068
 
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Names and Synonyms

Synonyms

  • 4-17-00-03291 (Beilstein Handbook Reference)
  • BRN 0071030
  • Penta-O-butanoyl-1,2,3,4,6-D-galactopyrannose
  • Penta-O-butanoyl-1,2,3,4,6-D-galactopyrannose [French]

Systematic Name

  • alpha-D-Galactopyranose, pentabutanoate

Registry Numbers

CAS Registry Number

  • 125161-50-4

System Generated Number

  • 0125161504

Structure Descriptors

InChI

1S/C26H42O11/c1-6-11-18(27)32-16-17-23(34-19(28)12-7-2)24(35-20(29)13-8-3)25(36-21(30)14-9-4)26(33-17)37-22(31)15-10-5/h17,23-26H,6-16H2,1-5H3/t17-,23+,24+,25-,26-/m1/s1

InChIKey

URBLVNWOCAGFPV-JKYBTISASA-N

Smiles

CCCC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 8gm/kg (8000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 471, 1989.
mouse LD50 oral > 8gm/kg (8000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 471, 1989.