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Substance Name: Diacetylacyclovir
RN: 75128-73-3
UNII: U32280404H
InChIKey: VBHLKZHSCMQLTI-UHFFFAOYSA-N

Molecular Formula

  • C12-H15-N5-O5

Molecular Weight

  • 309.2805
 
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Names and Synonyms

Name of Substance

  • Diacetylacyclovir

Synonyms

  • EC 278-077-7
  • EINECS 278-077-7
  • UNII-U32280404H

Systematic Name

  • 2-((2-Acetamido-6,9-dihydro-6-oxo-1H-purin-9-yl)methoxy)ethyl acetate

Registry Numbers

CAS Registry Number

  • 75128-73-3

FDA UNII

  • U32280404H

System Generated Number

  • 0075128733

Structure Descriptors

InChI

1S/C12H15N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)13-5-17(10)6-21-3-4-22-8(2)19/h5H,3-4,6H2,1-2H3,(H2,14,15,16,18,20)

InChIKey

VBHLKZHSCMQLTI-UHFFFAOYSA-N

Smiles

CC(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)COCCOC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 204 deg C   EXP
log P (octanol-water) -0.85 (none)   EXP
Water Solubility 2820 mg/L 25 EST
Vapor Pressure 2.32E-15 mm Hg 25 EST
Henry's Law Constant 1.06E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.17E-11 cm3/molecule-sec 25 EST

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