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Home> Hot Product Listed 4   > 4-amino-1-[(2s,5r)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
117-39-5 structure

4-amino-1-[(2s,5r)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one

CAS No.:117-39-5
Molecular Weight:302.2357
Molecular Formula:C12H12F2O3 (isomer)
Names and Identifiers
Synonyms

.beta.-l-2'-f-d4c 1-(2,3-dideoxy-2-fluoro-.beta.-l-glycero-pent-2-eno-furanosyl)cytosine 1-(2,3-dideoxy-2-fluoro-?-d-glycero-pent-2-enofuranosyl)cytosine 1-[[(2s,5r)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran]-2-yl]-4-aminopyrimidine-2(1h)-one 4-amino-1-[(2s,5r)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2(1h)-one AC1LAQDF CHEMBL25571 CTK7D9906 l-2'-fd4c SCHEMBL5963865

Inchi
InChI=1/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChkey
REFJWTPEDVJJIY-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
Properties
Melting Point
314-317℃
Vapour
9.03E-16mmHg at 25°C
Refractive Index
1.767
Safety and Handling
Risk Statements
R25;R40
Safety Statements
S28;S45
HazardClass
6.1(b)
Hazard Note
H301
PackingGroup
III
Transport
2811
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:302.2357g/mol
  • Molecular Formula:C12H12F2O3
  • XLogP3-AA:1.5
  • Exact Mass:302.042653
  • Monoisotopic Mass:302.042653
  • Complexity:488
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:127
  • Heavy Atom Count:22
  • 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
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