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Home> Hot Product Listed M   > MOLPORT-035-632-985
138-52-3 structure

MOLPORT-035-632-985

Iupac Name:(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
CAS No.:138-52-3
Molecular Weight:286.28
Molecular Formula:C24H27N3O3S (isomer)
Names and Identifiers
Synonyms

2-chloro-n-(dicyclopropylmethyl)imidazo[1,2-a]pyridine-3-carboxamide AKOS030761999 Z641915030 ZINC49221070

Inchi
InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChkey
NGFMICBWJRZIBI-UJPOAAIJSA-N
Canonical Smiles
C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
Isomers Smiles
C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Properties
Melting Point
196-202 °C
Vapour
6.85E-13mmHg at 25°C
Refractive Index
-62 ° (C=3, H2O)
Alpha
-61.5 o (C=5, WATER)
HS Code
29389090
Safety and Handling
Risk Statements
43
Safety Statements
36/37-37-24/25-36
Hazard Note
H317
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 138-52-3 EC: MOLPORT-035-632-985 ·ECHA C&L Inventory for CAS: CAS: 138-52-3 EC: MOLPORT-035-632-985
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

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

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

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:286.28g/mol
  • Molecular Formula:C24H27N3O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.2
  • Exact Mass:286.105
  • Monoisotopic Mass:286.105
  • Complexity:300
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:120A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:5
  • 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: AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAAABAAAAGgAACAAADBSwmAMwDoAABgCA AiBCAAACCAAgIAAIiAAGCIgdNyKEMRqieCClwBEPuAfA4CwOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
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