Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Validamycin A
RN: 37248-47-8
UNII: 313E9620QS
InChIKey: JARYYMUOCXVXNK-CSLFJTBJSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data
  • Natural Product

Molecular Formula

  • C20-H35-N-O13

Molecular Weight

  • 497.4905
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Validamycin A

Name of Substance

  • Validamycin A

Synonyms

  • (1S-(1a,4a,5B,6a))-1,5,6-Trideoxy-3-O-B-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-d-chiro-inositol
  • (1S-(1alpha,4alpha,5beta,6alpha))-1,5,6-trideoxy-4-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiro-inositol
  • 1L-(1,3,4/2,6)-2,3-Dihydroxy-6-hydromethyl-4-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethylcyclohex-2-enylamino)cyclohexyl beta-D-glucopyranoside
  • 1L-(1,3,4/2,6)-2,3-Dihydroxy-6-hydroxymethyl-4-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethylcyclohex-2-enylamino)cyclohexyl beta-D-glucopyranoside
  • D-1,5,6-Trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiroinositol
  • HSDB 6745
  • T-7545-A
  • UNII-313E9620QS
  • Validacin
  • Validamycin
  • Validamycin A
  • Valimon

Systematic Name

  • D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-

Registry Numbers

CAS Registry Number

  • 37248-47-8

FDA UNII

  • 313E9620QS

System Generated Number

  • 0037248478

Structure Descriptors

InChI

1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1

InChIKey

JARYYMUOCXVXNK-CSLFJTBJSA-N

Smiles

OC[C@H]1C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 13gm/kg (13000mg/kg)   Japan Pesticide Information. Vol. (47), Pg. 17, 1985.
mouse LD50 intravenous > 13gm/kg (13000mg/kg)   Japan Pesticide Information. Vol. (15), Pg. 28, 1973.
mouse LD50 oral 2gm/kg (2000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 1, Pg. 229, 1980.
mouse LD50 subcutaneous > 15gm/kg (15000mg/kg)   Japan Pesticide Information. Vol. (47), Pg. 17, 1985.
rat LC50 inhalation > 5gm/m3 (5000mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 17, Pg. S29, 1992.
rat LD50 intraperitoneal 10gm/kg (10000mg/kg)   Japan Pesticide Information. Vol. (47), Pg. 17, 1985.
rat LD50 intravenous 7200mg/kg (7200mg/kg)   Japan Pesticide Information. Vol. (47), Pg. 17, 1985.
rat LD50 oral > 20gm/kg (20000mg/kg)   Japan Pesticide Information. Vol. (15), Pg. 28, 1973.
rat LD50 skin > 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (40), Pg. 32, 1982.
rat LD50 subcutaneous > 15gm/kg (15000mg/kg)   Japan Pesticide Information. Vol. (47), Pg. 17, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -8.320 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Atmospheric OH Rate Constant 3.42E-10 cm3/molecule-sec 25 EST

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