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Home> Hot Product Listed T   > T6773637
367-93-1 structure

T6773637

Iupac Name:(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
CAS No.:367-93-1
Molecular Weight:238.298
Molecular Formula:C27H24FN5O2 (isomer)
Names and Identifiers
Synonyms

2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-n-[phenyl(thiophen-2-yl)methyl]acetamide 2-(2,4-dioxo-3h-pyrimidin-1-yl)-n-[phenyl(thiophen-2-yl)methyl]acetamide AB01296505-01 MCULE-6417527768 MOLPORT-009-140-247 Z137271986

Inchi
InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
InChkey
BPHPUYQFMNQIOC-NXRLNHOXSA-N
Canonical Smiles
CC(C)SC1C(C(C(C(O1)CO)O)O)O
Isomers Smiles
CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Properties
Melting Point
105℃
Refractive Index
1.577
Alpha
-31 o (C=1, WATER)
Safety and Handling
Risk Statements
R19;R40;R66
Safety Statements
S36/37
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 367-93-1 EC: T6773637 ·ECHA C&L Inventory for CAS: CAS: 367-93-1 EC: T6773637
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H332 Harmful if inhaled

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:238.298g/mol
  • Molecular Formula:C27H24FN5O2
  • Compound Is Canonicalized:True
  • Exact Mass:238.087
  • Monoisotopic Mass:238.087
  • Complexity:201
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:115A^2
  • Heavy Atom Count:15
  • 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: AAADceBwOABAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgQACAAACBSkwAKCAAAABggA AAAAAAAAAAAAABAAAAAAAAABEAIgAAACQAAFAAAjAAHAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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