({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid | CAS No. 113852-37-2

({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid

Basic Information

CAS Number

113852-37-2

Molecular Formula

C8H14N3O6P

Molecular Weight

279.19 g/mol

EINECS

638-807-0

AD

Basic Physical Properties

Melting Point

260° (dec)

Boiling Point

609.5±65.0 °C(Predicted)

Density

1.76±0.1 g/cm3(Predicted)

Water Solubility

Soluble to 12 mg/mL (42.98 mM) in Water

Flash Point

322.4±34.3 °C

Solubility

deionized water: ≥5mg/mL (warmed)

Refractive Index

1.656

Vapor Pressure

0.0±4.0 mmHg at 25°C

Specific Rotation

D20 -97.3° (c = 0.80 in water)

C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O

InChI

InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1

InChIKey

VWFCHDSQECPREK-LURJTMIESA-N

LogP

-1.6618000000000002

pKa

2.29±0.10(Predicted)

Topological Polar Surface Area

147.89999999999998 Ų

Hydrogen Bond Donor/Acceptor

5 / 9

Complexity

417

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • (S)-1-(3-Hydroxy-2-phosphonomethoxypropyl)cytosine
  • SR-01000931969
  • Forvade (TM)
  • (S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl-1-(hydroxymethyl)ethoxy)methyl phosphonic acid
  • Cidofovir hydrate
  • Cidofovir (Vistide)
  • Cidofovir anhydrous- Bio-X
  • HY-17438
  • EX-A4209
  • BCP03734
  • 1-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine
  • Vistide
  • BCP0726000147
  • SCHEMBL3948
  • GS 0504
  • Q423445
  • DB00369
  • GS504
  • L8P
  • (S)-(3-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-hydroxypropan-2-yloxy)methylphosphonic acid
  • BCP9000528
  • AKOS015854828
  • (S)-(((1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic acid
  • NCGC00184994-01
  • (((S)-2-(4-AMINO-2-OXO-1(2H)-PYRIMIDINYL)-1-(HYDROXYMETHYL)ETHOXY)METHYL)PHOSPHONIC ACID
  • Forvade
  • DTXSID3043734
  • Cidofovir,Vistide
  • CAS-113852-37-2
  • GS-6438
  • NCGC00184994-02

MDL Number

MFCD00866936

EC Number

638-807-0

Customs Code

2933599090

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