ChemSpider 2D Image | Amaromycin | C28H47NO8


  • Molecular FormulaC28H47NO8
  • Average mass525.675 Da
  • Monoisotopic mass525.330139 Da
  • ChemSpider ID4445267
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source

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

(3R,5R,6S,7S,9R,11E,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-xylo-hexopyranoside [ACD/IUPAC Name]
(3R,5R,6S,7S,9R,11E,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-xylo-hexopyranosid [German] [ACD/IUPAC Name]
19721-56-3 [RN]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (3R,5R,6S,7S,9R,11E,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-xylo-hexopyranosyl]oxy]-, (3R,5R,6S,7S,9R,11E,13S,14R)- [ACD/Index Name]

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

C11999 [DBID]
nchembio822-comp2 [DBID]
nchembio824-comp2 [DBID]
  • Miscellaneous
    • Chemical Class:

      A macrolide antibiotic that is biosynthesised by <ital>Streptomyces venezuelae</ital>. ChEBI CHEBI:29665
    • Bio Activity:

      Antibiotic. 14-Membered macrolide. Active against Gram-positive bacteria including mycobacteria. Prolyl endopeptidase (PREP) inhibitor. Hello Bio [HB4027]
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio [HB4027]
      Enzymes/Protease / Peptidase/Prolyl endopeptidase (PREP) Hello Bio [HB4027]
      Prolyl endopeptidase (PREP) inhibitor Hello Bio [HB4027]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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