ChemSpider 2D Image | {[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}(tetrahydro-2H-thiopyran-4-yl)acetic acid | C22H23NO4S

{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}(tetrahydro-2H-thiopyran-4-yl)acetic acid

  • Molecular FormulaC22H23NO4S
  • Average mass397.487 Da
  • Monoisotopic mass397.134766 Da
  • ChemSpider ID11438986

More details:






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

{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}(tetrahydro-2H-thiopyran-4-yl)acetic acid [ACD/IUPAC Name]
{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}(tetrahydro-2H-thiopyran-4-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Thiopyran-4-acetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]tetrahydro- [ACD/Index Name]
Acide {[(9H-fluorén-9-ylméthoxy)carbonyl]amino}(tétrahydro-2H-thiopyrane-4-yl)acétique [French] [ACD/IUPAC Name]
(R)-4-Ethyloxazolidine-2,5-dione
[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-(TETRAHYDRO-THIOPYRAN-4-YL)-ACETIC ACID
[443991-25-1] [RN]
{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}(THIAN-4-YL)ACETIC ACID
192570-33-5 [RN]
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-(tetrahydro-2H-thiopyran-4-yl)acetic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 641.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.0±25.9 °C
Index of Refraction: 1.627
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 9.64
ACD/KOC (pH 5.5): 41.95
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.68
Polar Surface Area: 101 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 305.8±3.0 cm3

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