ChemSpider 2D Image | (S)-emtricitabine sulfoxide | C8H10FN3O4S

(S)-emtricitabine sulfoxide

  • Molecular FormulaC8H10FN3O4S
  • Average mass263.246 Da
  • Monoisotopic mass263.037598 Da
  • ChemSpider ID52083844

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,5S)-5-(4-Amino-5-fluor-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)-1,3-oxathiolan-3-ium-3-olat [German] [ACD/IUPAC Name]
(2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)-1,3-oxathiolan-3-ium-3-olate [ACD/IUPAC Name]
(2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxyméthyl)-1,3-oxathiolan-3-ium-3-olate [French] [ACD/IUPAC Name]
(S)-emtricitabine sulfoxide
1,3-Oxathiolanium, 5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-3-hydroxy-2-(hydroxymethyl)-, inner salt, (2R,5S)- [ACD/Index Name]
1160303-44-5 [RN]
152128-77-3 [RN]
4-Amino-5-fluoro-1-[(2R,3S,5S)-2-(hydroxymethyl)-3-oxo-1,3λ4-oxathiolan-5-yl]pyrimidin-2(1H)-one
EMTRICITABINE SULFOXIDE, (S)-

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TUH9E24U7Y [DBID]
UNII:TUH9E24U7Y [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.790
Molar Refractivity: 55.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 111 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 100.5±7.0 dyne/cm
Molar Volume: 129.8±7.0 cm3

Click to predict properties on the Chemicalize site


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