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

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

  • Molecular FormulaC22H23NO4S
  • Average mass397.487 Da
  • Monoisotopic mass397.134766 Da
  • ChemSpider ID21473204

More details:

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

(4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}tetrahydro-2H-thiopyran-4-yl)acetic acid [ACD/IUPAC Name]
(4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}tetrahydro-2H-thiopyran-4-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Thiopyran-4-acetic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]tetrahydro- [ACD/Index Name]
Acide (4-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}tétrahydro-2H-thiopyrane-4-yl)acétique [French] [ACD/IUPAC Name]
(4-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}THIAN-4-YL)ACETIC ACID
(4-Fmoc-amino-tetrahydrothiopyran-4-yl)acetic acid
(4-Fmoc-amino-tetrahydrothiopyran-4-yl)-acetic acid
(9H-Fluoren-9-yl)methyl [4-(carboxymethyl)tetrahydro-2H-thiopyran-4-yl]carbamate
(9H-Fluoren-9-yl)methyl [4-(carboxymethyl)tetrahydro-2H-thiopyran-4-yl]carbamate, 4-Amino-4-(carboxymethyl)tetrahydro-2H-thiopyran N-FMOC protected
(9H-Fluoren-9-yl)methyl [4-(carboxymethyl)tetrahydro-2H-thiopyran-4-yl]carbamate, 4-Amino-4-(carboxymethyl)tetrahydro-2H-thiopyran, N-FMOC protected
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 643.6±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.8±3.0 kJ/mol
    Flash Point: 343.0±29.6 °C
    Index of Refraction: 1.660
    Molar Refractivity: 108.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.38
    ACD/LogD (pH 5.5): 3.21
    ACD/BCF (pH 5.5): 92.30
    ACD/KOC (pH 5.5): 455.24
    ACD/LogD (pH 7.4): 1.41
    ACD/BCF (pH 7.4): 1.45
    ACD/KOC (pH 7.4): 7.16
    Polar Surface Area: 101 Å2
    Polarizability: 43.1±0.5 10-24cm3
    Surface Tension: 65.4±5.0 dyne/cm
    Molar Volume: 294.7±5.0 cm3

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