ChemSpider 2D Image | (2S)-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}(4-hydroxycyclohexyl)acetic acid | C23H25NO5

(2S)-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}(4-hydroxycyclohexyl)acetic acid

  • Molecular FormulaC23H25NO5
  • Average mass395.448 Da
  • Monoisotopic mass395.173279 Da
  • ChemSpider ID29359026

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}(4-hydroxycyclohexyl)acetic acid [ACD/IUPAC Name]
(2S)-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}(4-hydroxycyclohexyl)essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}(4-hydroxycyclohexyl)acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-hydroxy-, (αS)- [ACD/Index Name]
(2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(4-hydroxycyclohexyl)acetic acid
(2S)-2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-2-(4-HYDROXYCYCLOHEXYL)ACETIC ACID
(S)-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}(4-HYDROXYCYCLOHEXYL)ACETIC ACID
(S)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2-(4-HYDROXYCYCLOHEXYL)ACETIC ACID
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(4-hydroxycyclohexyl)aceticacid
1416444-92-2 [RN]
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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: 645.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.1±3.0 kJ/mol
    Flash Point: 344.3±25.9 °C
    Index of Refraction: 1.620
    Molar Refractivity: 106.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.56
    ACD/LogD (pH 5.5): 1.23
    ACD/BCF (pH 5.5): 1.59
    ACD/KOC (pH 5.5): 12.24
    ACD/LogD (pH 7.4): -0.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 42.2±0.5 10-24cm3
    Surface Tension: 58.9±3.0 dyne/cm
    Molar Volume: 303.3±3.0 cm3

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