4-Amino-1-(beta-D-arabinofuranosyl)-2(1H)-pyrimidinone | CAS No. 147-94-4

4-Amino-1-(beta-D-arabinofuranosyl)-2(1H)-pyrimidinone

Basic Information

CAS Number

147-94-4

Molecular Formula

C9H13N3O5

Molecular Weight

243.22 g/mol

EINECS

205-705-9

AD

Basic Physical Properties

Melting Point

214°C

Boiling Point

386.09°C (rough estimate)

Density

1.3686 (rough estimate)

Water Solubility

almost transparency

Flash Point

283.8°C

Solubility

H2O: 50 mg/mL, clear, colorless

Refractive Index

1.5100 (estimate)

Specific Rotation

+155° - +166° (c=1, H2O)

Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1

InChI

InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1

InChIKey

UHDGCWIWMRVCDJ-CCXZUQQUSA-N

LogP

-2.563

pKa

pKa 4.3 (Uncertain)

Topological Polar Surface Area

130.82999999999998 Ų

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

383

Safety Information

View Safety Information

GHS Hazard Pictograms

H317H317
H361H361

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin
H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Storage Conditions

2-8℃

Toxicity

LD50 oral in rat: > 5gm/kg

RTECS

HA5425000

Synonyms & References

English

  • 4-Amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
  • 1-B-D-ARABINOFURANOSYL CYTOSIN
  • 1-[BETA-D-ARABINOFURANOSYL]CYTOSINE
  • 2'-ARACYTIDINE
  • 4-AMINO-1-BETA-D-ARABINOFURANOSYL-2(1H)-PYRIMIDINONE
  • ARABINOCYRIDINE
  • ARABINOFURANOSYLCYTOSINE
  • ARABINOSYLCYTOSINE
  • CYTARABINE
  • CYTOSINE-1-BETA-D(+)-ARABINOFURANOSIDE
  • CYTOSINE ARABINOSIDE
  • CYTOSINE BETA-D-ARABINOFURANOSIDE
  • 1-arabinofuranosylcytosine
  • 1-beta-arabinofuranosylcytosine
  • 1-beta-d-arabinofuranosyl-4-amino-2(1h)pyrimidinone
  • 1-beta-d-arabinofuranosyl-cytosin
  • 1-beta-d-arabinosyl-cytosin
  • 1-beta-d-arabinosylcytosine
  • Cytosine β-D-arabinofuranoside
  • 1-β-D-Arabinofuranosylcytosine
  • Cytarabine hydrochloride
  • (β-D-Arabinofuranosyl)cytosine
  • 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-Amino-1-β-D-arabinofuranosyl-2(1H)-pyrimidinone
  • Ara-C
  • Arabinocytidine
  • udicil
  • Iretin
  • arafcyt
  • cytosar
  • Citozar

MDL Number

MFCD00066487

EC Number

205-705-9

Customs Code

2934999090

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