Found 11 results

Search term: MF = 'C_{58}H_{86}N_{2}O_{18}'
ChemSpider 2D Image | (2S)-2-{(2S,4S,6S)-4-{[6-Deoxy-4-O-(6-deoxy-2-O-methyl-alpha-L-mannopyranosyl)-3-O-methyl-beta-D-allopyranosyl]oxy}-2-hydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}-N-[(2 E,4E,6S,7S,9S,10E,12E,14E,16E)-8,9-dihydroxy-18-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)-6-methoxy-5,7,17-trimethyl-18-oxo-2,4,10,12,14,16-octadecahexaen-1-yl]butanamide | C58H86N2O18

(2S)-2-{(2S,4S,6S)-4-{[6-Deoxy-4-O-(6-deoxy-2-O-methyl-α-L-mannopyranosyl)-3-O-methyl-β-D-allopyranosyl]oxy}-2-hydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}-N-[(2 E,4E,6S,7S,9S,10E,12E,14E,16E)-8,9-dihydroxy-18-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)-6-methoxy-5,7,17-trimethyl-18-oxo-2,4,10,12,14,16-octadecahexaen-1-yl]butanamide

  • Molecular FormulaC58H86N2O18
  • Average mass1099.306 Da
  • Monoisotopic mass1098.587524 Da
  • ChemSpider ID88298647

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 18 defined stereocentres

More details:

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

(2S)-2-{(2S,4S,6S)-4-{[6-Deoxy-4-O-(6-deoxy-2-O-methyl-α-L-mannopyranosyl)-3-O-methyl-β-D-allopyranosyl]oxy}-2-hydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}-N-[(2 E,4E,6S,7S,9S,10E,12E,14E,16E)-8,9-dihydroxy-18-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)-6-methoxy-5,7,17-trimethyl-18-oxo-2,4,10,12,14,16-octadecahexaen-1-yl]butanamide [ACD/IUPAC Name]
(2S)-2-{(2S,4S,6S)-4-{[6-Desoxy-4-O-(6-desoxy-2-O-methyl-α-L-mannopyranosyl)-3-O-methyl-β-D-allopyranosyl]oxy}-2-hydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}-N-[ (2E,4E,6S,7S,9S,10E,12E,14E,16E)-8,9-dihydroxy-18-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)-6-methoxy-5,7,17-trimethyl-18-oxo-2,4,10,12,14,16-octadecahexaen-1-yl]butanamid [German] [ACD/IUPAC Name]
(2S)-2-{(2S,4S,6S)-4-{[6-Désoxy-4-O-(6-désoxy-2-O-méthyl-α-L-mannopyranosyl)-3-O-méthyl-β-D-allopyranosyl]oxy}-2-hydroxy-5,5-diméthyl-6-[(1E,3Z)-1,3-pentadién-1-yl]tétrahydro-2H-pyran-2-yl}-N-[ (2E,4E,6S,7S,9S,10E,12E,14E,16E)-8,9-dihydroxy-18-(4-hydroxy-1-méthyl-2-oxo-1,2-dihydro-3-pyridinyl)-6-méthoxy-5,7,17-triméthyl-18-oxo-2,4,10,12,14,16-octadécahexaén-1-yl]butanamide [French] [ACD/IUPAC Name]
118117-42-3 [RN]

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

UK 69753 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1179.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 197.1±6.0 kJ/mol
Flash Point: 667.2±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 292.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 4
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 34.67
ACD/KOC (pH 5.5): 222.90
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.85
Polar Surface Area: 282 Å2
Polarizability: 116.1±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 866.7±5.0 cm3

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