ChemSpider 2D Image | 3-O-alpha-mycarosylerythronolide B | C28H50O10

3-O-α-mycarosylerythronolide B

  • Molecular FormulaC28H50O10
  • Average mass546.691 Da
  • Monoisotopic mass546.340393 Da
  • ChemSpider ID389908

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,10-dion (non-prefe rred name) [German] [ACD/IUPAC Name]
(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-pre ferred name) [ACD/IUPAC Name]
(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexaméthyloxacyclotétradécane-2,10-dione (non-pre ferred name) [French] [ACD/IUPAC Name]
34698-88-9 [RN]
3-O-α-mycarosylerythronolide B
&α;-L-mycarosyl erythronolide B
(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
3-&α;-mycarosylerythronolide B
3-O-Mycarosylerythronolide B
3-O-α-L-mycarosylerythronolide B
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C06630 [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: 695.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 218.3±25.0 °C
Index of Refraction: 1.529
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.30
ACD/KOC (pH 5.5): 267.75
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.30
ACD/KOC (pH 7.4): 267.75
Polar Surface Area: 163 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 455.6±5.0 cm3

Click to predict properties on the Chemicalize site


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