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Substance Name: Mycaminosyltylonolide
RN: 61257-02-1
InChIKey: WGUJDBLMJBJUQU-VKRLOHBMSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C31-H51-N-O10

Molecular Weight

  • 597.741
 
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Names and Synonyms

Name of Substance

  • Mycaminosyltylonolide

Synonyms

  • Mycaminosyltylonolide
  • O-Mycaminosyltylonolide

Systematic Name

  • Tylonolide, 5-O-(3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl)-

Registry Numbers

CAS Registry Number

  • 61257-02-1

System Generated Number

  • 0061257021

Structure Descriptors

InChI

1S/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1

InChIKey

WGUJDBLMJBJUQU-VKRLOHBMSA-N

Smiles

C1(O[C@H](CC)[C@H](C=C(C=CC([C@@H](C[C@H](CC=O)[C@@H]([C@H]([C@@H](C1)O)C)O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](N(C)C)[C@H]1O)C)=O)C)CO)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 220mg/kg (220mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 1021, 1986.
mouse LD50 oral 420mg/kg (420mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 2, Pg. 137, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 8.4 (none) 25 EXP
log P (octanol-water) 0.99 (none)   EXP
Water Solubility 242 mg/L 25 EST
Vapor Pressure 8.41E-25 mm Hg 25 EST
Henry's Law Constant 2.46E-25 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.96E-10 cm3/molecule-sec 25 EST

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