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Home> Hot Product Listed C   > Candicidin D,18-decarboxy-40-demethyl-3,7-dideoxo-3,7-dihydroxy-N47-methyl-5-oxo-N3'-[1-oxo-3-(1-pip...
16563-14-7 structure

Candicidin D,18-decarboxy-40-demethyl-3,7-dideoxo-3,7-dihydroxy-N47-methyl-5-oxo-N3'-[1-oxo-3-(1-piperidinyl)propyl]-18-[[[2-(2-pyridinyl)ethyl]amino]carbonyl]-, cyclic15,19-hemiacetal, (1'x)- (9CI)

Iupac Name:4-oxothiolane-3-carbonitrile
CAS No.:16563-14-7
Molecular Weight:127.161
Molecular Formula:C9H16N2O3 (isomer)
Names and Identifiers
Synonyms

16,39-Dioxabicyclo[33.3.1]nonatriacontane, candicidin D deriv. n-piperidinopropionyl-partricin a 2-pyridinylethylamide nsc722660 nsc-722660

Inchi
InChI=1S/C5H5NOS/c6-1-4-2-8-3-5(4)7/h4H,2-3H2
InChkey
OHPSBDAUCJNDHP-UHFFFAOYSA-N
Canonical Smiles
C1C(C(=O)CS1)C#N
Properties
Melting Point
71 °C
Boiling Point
°Cat760mmHg
Flash Point
275.7°C
Safety and Handling
Risk Statements
22-36/37/38
Safety Statements
26
HazardClass
IRRITANT
Reach Info
Computational chemical data
  • Molecular Weight:127.161g/mol
  • Molecular Formula:C9H16N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:127.009
  • Monoisotopic Mass:127.009
  • Complexity:157
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:66.2A^2
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiIABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAHgQAAAAADQSFwACAAAAAAAgY BIAQAAAAAAAAABAAAAEAAAAAgAAgAAAAAAAAAAAgAAgAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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