ChemSpider 2D Image | 1-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea | C22H28FN3O6S

1-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea

  • Molecular FormulaC22H28FN3O6S
  • Average mass481.538 Da
  • Monoisotopic mass481.168274 Da
  • ChemSpider ID58158593

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R)-2,6-Anhydro-3,4,5-trideoxy-6-(2-{[(2-fluorophenyl)sulfonyl]amino}ethyl)-3-{[(4-methoxyphenyl)carbamoyl]amino}-D-erythro-hexitol [ACD/IUPAC Name]
(6R)-2,6-Anhydro-3,4,5-tridésoxy-6-(2-{[(2-fluorophényl)sulfonyl]amino}éthyl)-3-{[(4-méthoxyphényl)carbamoyl]amino}-D-érythro-hexitol [French] [ACD/IUPAC Name]
(6R)-2,6-Anhydro-3,4,5-tridesoxy-6-(2-{[(2-fluorphenyl)sulfonyl]amino}ethyl)-3-{[(4-methoxyphenyl)carbamoyl]amino}-D-erythro-hexitol [German] [ACD/IUPAC Name]
1-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea
L-arabino-Octitol, 3,7-anhydro-1,2,4,5,6-pentadeoxy-1-[[(2-fluorophenyl)sulfonyl]amino]-6-[[[(4-methoxyphenyl)amino]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 120.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.85
ACD/KOC (pH 5.5): 405.19
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.84
ACD/KOC (pH 7.4): 405.03
Polar Surface Area: 134 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 348.6±5.0 cm3

Click to predict properties on the Chemicalize site


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