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Home> Hot Product Listed S   > STK166483
9005-25-8 structure

STK166483

Iupac Name:(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CAS No.:9005-25-8
Molecular Formula:C26H23NO5 (isomer)
Names and Identifiers
Synonyms

AC1LTVPG AKOS002693724 BG00056633 MCULE-2606532605 MOLPORT-000-190-255 n-benzyl-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide STOCK3S-80137 ZINC1471614

Inchi
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1
InChkey
GUBGYTABKSRVRQ-ASMJPISFSA-N
Canonical Smiles
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
Isomers Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]
2O)O)O)CO)O)O)O)O
Properties
Melting Point
256-258°C
Vapour
0mmHg at 25°C
Refractive Index
1.652
HS Code
11081100
Safety and Handling
Risk Statements
36-20/21/22
Safety Statements
26-24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 9005-25-8 EC: STK166483 ·ECHA C&L Inventory for CAS: CAS: 9005-25-8 EC: STK166483
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:g/mol
  • Molecular Formula:C26H23NO5
  • Compound Is Canonicalized:True
  • Exact Mass:342.116
  • Monoisotopic Mass:342.116
  • Complexity:382
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:8
  • Hydrogen Bond Acceptor Count:11
  • Topological Polar Surface Area:190A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:10
  • 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: AAADceBwPAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAA AAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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