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Substance Name: 5-Methylcytidine
RN: 2140-61-6
UNII: TL9PB228DC
InChIKey: ZAYHVCMSTBRABG-JXOAFFINSA-N

Molecular Formula

  • C10-H15-N3-O5

Molecular Weight

  • 257.2445
 
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Names and Synonyms

Name of Substance

  • 5-Methylcytidine

Synonyms

  • 5-Methylcytidine
  • EINECS 218-390-8
  • NSC 363933
  • UNII-TL9PB228DC

Systematic Name

  • 5-Methylcytidine

Registry Numbers

CAS Registry Number

  • 2140-61-6

FDA UNII

  • TL9PB228DC

System Generated Number

  • 0002140616

Structure Descriptors

InChI

1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1

InChIKey

ZAYHVCMSTBRABG-JXOAFFINSA-N

Smiles

Cc1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 213 dec deg C   EXP
log P (octanol-water) -2.01E+00 (none)   EXP
Water Solubility 5.50E+04 mg/L 25 EST
Vapor Pressure 6.56E-12 mm Hg 25 EST
Henry's Law Constant 2.45E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.42E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.