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Home> Hot Product Listed M   > myo-Inositol,1,3-bis(acetylamino)-1,3-dideoxy-, 4,5,6-triacetate (9CI)
42846-91-3 structure

myo-Inositol,1,3-bis(acetylamino)-1,3-dideoxy-, 4,5,6-triacetate (9CI)

Iupac Name:5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
CAS No.:42846-91-3
Molecular Weight:184.195
Molecular Formula:C13H15CLO (isomer)
Names and Identifiers
Synonyms

(2,4-diacetamido-5,6-diacetyloxy-3-hydroxycyclohexyl) acetat (2,4-diacetamido-5,6-diacetyloxy-3-hydroxycyclohexyl) acetate 4,6-bis(acetylamino)-5-hydroxycyclohexane-1,2,3-triyl triacetate AC1L6G8P AC1Q60MS CA009521 CTK4H2200 DTXSID70303136 Inositol,1,3-diacetamido-1,3-dideoxy-, 4,5,6-triacetate, myo- (8CI) NSC 156927 nsc156927 nsc-156927

Inchi
InChI=1S/C8H12N2O3/c1-4(2)3-5-6(11)9-8(13)10-7(5)12/h4-5H,3H2,1-2H3,(H2,9,10,11,12,13)
InChkey
CZERPPISCPPWRA-UHFFFAOYSA-N
Canonical Smiles
CC(C)CC1C(=O)NC(=O)NC1=O
Properties
Refractive Index
1.466
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:184.195g/mol
  • Molecular Formula:C13H15CLO
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.4
  • Exact Mass:184.085
  • Monoisotopic Mass:184.085
  • Complexity:240
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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