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Substance Name: Ethyldeshydroxysparsomycin
RN: 119410-38-7
InChIKey: CIOPNRONTBCAKE-AATRIKPKSA-N

Molecular Formula

  • C14-H21-N3-O4-S2

Molecular Weight

  • 359.469
 
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Names and Synonyms

Name of Substance

  • Ethyldeshydroxysparsomycin

Synonyms

  • EdSm
  • Ethyldeshydroxy-sparsomycin

Systematic Name

  • 2-Propenamide, N-(2-(((ethylthio)methyl)sulfinyl)-1-methylethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (R-(R*,S*-(E)))-

Registry Numbers

CAS Registry Number

  • 119410-38-7

System Generated Number

  • 0119410387

Structure Descriptors

InChI

1S/C14H21N3O4S2/c1-4-22-8-23(21)7-9(2)15-12(18)6-5-11-10(3)16-14(20)17-13(11)19/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)(H2,16,17,19,20)/b6-5+

InChIKey

CIOPNRONTBCAKE-AATRIKPKSA-N

Smiles

c1(c([nH]c([nH]c1C)=O)=O)\C=C\C(N[C@@H](C[S@@](=O)CSCC)C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.3 (none)   EXP
Atmospheric OH Rate Constant 1.72E-10 cm3/molecule-sec 25 EST

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