Found 1 result

Search term: 26344099 (Found by CSID)
ChemSpider 2D Image | (1S,3R,6R,8E,10R,11S,14S,16S,19R,20S)-25-Hydroxy-4-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0~1,6~.0~11,20~.0~14,19~]pentacosa-4,8,12,22(25)-tetraene-21, 23-dione | C32H44O6

(1S,3R,6R,8E,10R,11S,14S,16S,19R,20S)-25-Hydroxy-4-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,8,12,22(25)-tetraene-21, 23-dione

  • Molecular FormulaC32H44O6
  • Average mass524.688 Da
  • Monoisotopic mass524.313782 Da
  • ChemSpider ID26344099

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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(1S,3R,6R,8E,10R,11S,14S,16S,19R,20S)-25-Hydroxy-4-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,8,12,22(25)-tetraen-21,2
 3-dion [German] [ACD/IUPAC Name]
(1S,3R,6R,8E,10R,11S,14S,16S,19R,20S)-25-Hydroxy-4-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,8,12,22(25)-tetraene-21,
 23-dione [ACD/IUPAC Name]
(1S,3R,6R,8E,10R,11S,14S,16S,19R,20S)-25-Hydroxy-4-(hydroxyméthyl)-3-[(2R)-2-hydroxypropyl]-6,10,16,20-tétraméthyl-24-oxapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,8,12,22(25)-tétraène-21,
 23-dione [French] [ACD/IUPAC Name]
14a,17-Metheno-16H-benzo[b]naphth[2,1-h]oxacyclododecin-16,18(1H)-dione, 2,3,4,4a,6a,7,10,10a,13,14,18a,18b-dodecahydro-19-hydroxy-12-(hydroxymethyl)-13-[(2R)-2-hydroxypropyl]-3,7,10a,18a-tetramethyl- , (3S,4aS,6aS,7R,8E,10aR,13R,14aS,18aS,18bR)- [ACD/Index Name]
maklamicin
Maklamicin, (rel)-
rel-(1S,3R,6R,8E,10R,11S,14S,16S,19R,20S)-25-Hydroxy-4-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,8,12,22(25)-tetraene-21, 23-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 222.8±25.0 °C
Index of Refraction: 1.596
Molar Refractivity: 145.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 761.50
ACD/KOC (pH 5.5): 2035.71
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 13.14
ACD/KOC (pH 7.4): 35.12
Polar Surface Area: 104 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 427.3±5.0 cm3

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