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Home> Hot Product Listed D   > D-Glucopyranose,O-2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl-(1®4)-O-2,3,6-tri-O-acetyl-b-D-gluco...
18472-51-0 structure

D-Glucopyranose,O-2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl-(1®4)-O-2,3,6-tri-O-acetyl-b-D-glucopyranosyl-(1®4)-, tetraacetate (9CI)

Iupac Name:2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CAS No.:18472-51-0
EINECS(EC#): 202-084-6
Molecular Weight:897.762
Molecular Formula:C10H22SI2 (isomer)
Names and Identifiers
Synonyms

a-Cellotriose hendecaacetate a-Cellotriose undecaacetate (6CI) a-D-Cellotriose hendecaacetate Cellotriose,undecaacetate (7CI) D-Cellotriose undecaacetate min. 98%

Inchi
InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1
InChkey
YZIYKJHYYHPJIB-UUPCJSQJSA-N
Canonical Smiles
C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C(C(C(C(C(C(=O)O)O)O)O)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O
Isomers Smiles
C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(N)/N=C(/N)\NC2=CC=C(C=C2)Cl)N)/N)Cl.C(
[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=
O)O)O)O)O)O)O
Properties
Density
g/cm3
Melting Point
134 °C
Boiling Point
127.2°C at 760 mmHg
Vapour
0mmHg at 25°C
Flash Point
41.1°C
Safety and Handling
Risk Statements
50/53
Safety Statements
61
HazardClass
9
Hazard Note
H400; H411
PackingGroup
III
Transport
UN 3082 9 / PGIII
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Evonik Technochemie GmbH 2016
Medichem S.A. 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

P273 Avoid release to the environment.

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

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:897.762g/mol
  • Molecular Formula:C10H22SI2
  • Compound Is Canonicalized:True
  • Exact Mass:896.32
  • Monoisotopic Mass:896.32
  • Complexity:819
  • Rotatable Bond Count:23
  • Hydrogen Bond Donor Count:18
  • Hydrogen Bond Acceptor Count:16
  • Topological Polar Surface Area:455A^2
  • Heavy Atom Count:60
  • Defined Atom Stereocenter Count:8
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:2
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcfB//AAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgIQCAAACB7hkCYxyILAAgCo ACTSbAKCAAEhBwAJiAFAZoiJMDbBm5GEYAhlsAJJyCfabARAAABAAAAAAAAAAIAAAAAAAAAAAAAA AA==
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