ChemSpider 2D Image | (3R,5R,6S,7S,9R,11Z,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-glycero-hexopyranoside | C28H47NO8

(3R,5R,6S,7S,9R,11Z,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-glycero-hexopyranoside

  • Molecular FormulaC28H47NO8
  • Average mass525.675 Da
  • Monoisotopic mass525.330139 Da
  • ChemSpider ID64849568

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(3R,5R,6S,7S,9R,11Z,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-glycero-hexopyranoside [ACD/IUPAC Name]
(3R,5R,6S,7S,9R,11Z,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-glycero-hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-glycéro-hexopyranoside de (3R,5R,6S,7S,9R,11Z,13S,14R)-14-éthyl-13-hydroxy-3,5,7,9,13-pentaméthyl-2,4,10-trioxooxacyclotétradéc-11-én-6-yle [French] [ACD/IUPAC Name]
Oxacyclotetradec-11-ene-2,4,10-trione, 14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-glycero-hexopyranosyl]oxy]-, (3R,5R,6S,7S,9R,11Z,13S,14R)- [ACD/Index Name]
19721-56-3 [RN]
pikromycin

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 688.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.9 mmHg at 25°C
    Enthalpy of Vaporization: 115.4±6.0 kJ/mol
    Flash Point: 369.9±31.5 °C
    Index of Refraction: 1.522
    Molar Refractivity: 139.8±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 1.72
    ACD/LogD (pH 5.5): -0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.63
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 6.61
    ACD/KOC (pH 7.4): 83.35
    Polar Surface Area: 123 Å2
    Polarizability: 55.4±0.5 10-24cm3
    Surface Tension: 45.8±5.0 dyne/cm
    Molar Volume: 458.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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