ChemSpider 2D Image | WC830G6O4X | C21H27ClO5

WC830G6O4X

  • Molecular FormulaC21H27ClO5
  • Average mass394.889 Da
  • Monoisotopic mass394.154694 Da
  • ChemSpider ID58827834

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-[4-(2-{4-[(2S)-3-Chlor-2-hydroxypropoxy]phenyl}-2-propanyl)phenoxy]-1,2-propandiol [German] [ACD/IUPAC Name]
(2R)-3-[4-(2-{4-[(2S)-3-Chloro-2-hydroxypropoxy]phenyl}-2-propanyl)phenoxy]-1,2-propanediol [ACD/IUPAC Name]
(2R)-3-[4-(2-{4-[(2S)-3-Chloro-2-hydroxypropoxy]phényl}-2-propanyl)phénoxy]-1,2-propanediol [French] [ACD/IUPAC Name]
(R)-3-(4-(2-(4-((S)-3-chloro-2-hydroxypropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diol
1,2-Propanediol, 3-[4-[1-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]-1-methylethyl]phenoxy]-, (2R)- [ACD/Index Name]
1203490-23-6 [RN]
WC830G6O4X
(2R)-3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
EPI-002
MFCD30502912
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10676 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 601.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.1±3.0 kJ/mol
    Flash Point: 317.2±31.5 °C
    Index of Refraction: 1.571
    Molar Refractivity: 105.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 94.99
    ACD/KOC (pH 5.5): 906.20
    ACD/LogD (pH 7.4): 2.90
    ACD/BCF (pH 7.4): 94.99
    ACD/KOC (pH 7.4): 906.20
    Polar Surface Area: 79 Å2
    Polarizability: 41.9±0.5 10-24cm3
    Surface Tension: 47.9±3.0 dyne/cm
    Molar Volume: 321.4±3.0 cm3

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