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Home> Hot Product Listed C   > Cytidine, N-benzoyl-,2',3',5'-tribenzoate (7CI,9CI)
4144-62-1 structure

Cytidine, N-benzoyl-,2',3',5'-tribenzoate (7CI,9CI)

Iupac Name:6-oxo-6-phenylhexanoic acid
CAS No.:4144-62-1
Molecular Weight:206.241
Molecular Formula:C33H58O10 (isomer)
Names and Identifiers
Synonyms

[5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate 4-(benzoylamino)-1-(2,3,5-tri-o-benzoylpentofuranosyl)pyrimidin-2(1h)-one AC1L66CB AC1Q5F8E Benzamide,N-(1,2-dihydro-2-oxo-1-b-D-ribofuranosyl-4-pyrimidinyl)-, tribenzoate (ester) (8CI) Cytidine, N-benzoyl-,tribenzoate (6CI) N4,2',3',5'-Tetrabenzoylcytidine NSC 95000 nsc95000 nsc-95000 NU007397

Inchi
InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChkey
AIEMSTCGCMIJTI-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C(=O)CCCCC(=O)O
Properties
Density
1.095
Melting Point
76-78°C
Boiling Point
504.2°Cat760mmHg
Refractive Index
1.533
Flash Point
123.1 °C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:206.241g/mol
  • Molecular Formula:C33H58O10
  • Compound Is Canonicalized:True
  • Exact Mass:206.094
  • Monoisotopic Mass:206.094
  • Complexity:217
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54.4A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • 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: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAwCIAAAgCI AqDSCAACAAAkAAAIiAEAAMgIIDKAFRCAYQAkgAAIiYeIyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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