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Home> Hot Product Listed &   > â-D-Lyxofuranoside,2-hydroxy-3- (octadecyloxy)propyl
1963-21-9 structure

â-D-Lyxofuranoside,2-hydroxy-3- (octadecyloxy)propyl

Iupac Name:(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoic acid
CAS No.:1963-21-9
Molecular Weight:174.2
Molecular Formula:C16H15NO2S (isomer)
Names and Identifiers
Synonyms

-D-Lyxofuranoside,2-hydroxy-3- (octadecyloxy)propyl

Inchi
InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChkey
STKYPAFSDFAEPH-LURJTMIESA-N
Canonical Smiles
CC(C)C(C(=O)O)NC(=O)CN
Properties
Density
1.02
Melting Point
248℃
Boiling Point
294.5°C at 760 mmHg
Vapour
1.08E-07mmHg at 25°C
Refractive Index
-20 ° (C=2, H2O)
Alpha
-21 º (C=2,WATER)
Safety and Handling
Risk Statements
R36
Safety Statements
S24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:174.2g/mol
  • Molecular Formula:C16H15NO2S
  • Compound Is Canonicalized:True
  • Exact Mass:174.1
  • Monoisotopic Mass:174.1
  • Complexity:180
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:92.4A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADSjBgAQCCALAAgAI AAGQGAAAAAAAAAAAAIGIAAACQBAAACAUQAAEFgCQAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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