ChemSpider 2D Image | Eprinomectin B1b | C49H73NO14

Eprinomectin B1b

  • Molecular FormulaC49H73NO14
  • Average mass900.102 Da
  • Monoisotopic mass899.503113 Da
  • ChemSpider ID16736608
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres


More details:






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

Eprinomectin B1b
Eprinomectin [INN] [REDIRECT]
(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24 ]pentacosa[10,14,16,22]tetraen]-12'-yl 4-O-(4-acetamido-2,4,6-trideoxy-3-O-methyl-α-L-lyxo-hexopyranosyl)-2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 4-O-[4-(acetylamino)-2,4,6-trideoxy-3-O-methyl-α-L-lyxo-hexopyranosyl]-2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranoside
(4''R)-4''-(Acetylamino)-5-O-demethyl-25-de(1-methylpropyl)-4''-deoxy-25-(1-methylethyl)avermectin A1a
133305-89-2 [RN]
Eprinomectin Component B1b
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-6'-(S)-sec-Butyl-5',6,6',7,10,11,14,15,17a,20,20a,20b-dodecahydro-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxospiro(11,15-methano-2H,13H,17H-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2H)pyran)-7-yl-4-O-(4-acetamido-2,4,6-trideoxy-3-O-methyl-α-L-lyxo-hexopyranosyl)-2,6-dideoxy-3-O-methyl-α-L-arabino-hexo(4''R)-4''-(Acetylamino)-5-O-demethyl-4''-deoxyavermectin A1a
123997-26-2 [RN]
133305-88-1 [RN]
More...

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

31OML2QZ0Q [DBID]
UNII:31OML2QZ0Q [DBID]
UNII-31OML2QZ0Q [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 986.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.1±6.0 kJ/mol
Flash Point: 550.7±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 237.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9000.40
ACD/KOC (pH 5.5): 23553.25
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9000.28
ACD/KOC (pH 7.4): 23552.94
Polar Surface Area: 179 Å2
Polarizability: 94.2±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 724.5±5.0 cm3

Click to predict properties on the Chemicalize site





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