ChemSpider 2D Image | Fumonisin B4 | C34H59NO13

Fumonisin B4

  • Molecular FormulaC34H59NO13
  • Average mass689.831 Da
  • Monoisotopic mass689.398621 Da
  • ChemSpider ID22913871
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(2R,2'R)-2,2'-{[(5R,6R,7S,9S,18S,19S)-19-Amino-18-hydroxy-5,9-dimethyl-6,7-icosandiyl]bis[oxy(2-oxo-2,1-ethandiyl)]}dibernsteinsäure [German] [ACD/IUPAC Name]
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,18S,19S)-19-Amino-18-hydroxy-5,9-dimethyl-6,7-icosanediyl]bis[oxy(2-oxo-2,1-ethanediyl)]}disuccinic acid [ACD/IUPAC Name]
1,2,3-Propanetricarboxylic acid, 1,1'-[(1S,2R)-1-[(2S,11S,12S)-12-amino-11-hydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl] ester, (2R,2'R)- [ACD/Index Name]
Acide (2R,2'R)-2,2'-{[(5R,6R,7S,9S,18S,19S)-19-amino-18-hydroxy-5,9-diméthyl-6,7-icosanediyl]bis[oxy(2-oxo-2,1-éthanediyl)]}disuccinique [French] [ACD/IUPAC Name]
Fumonisin B4
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,18S,19S)-19-amino-18-hydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}disuccinic acid
136379-60-7 [RN]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133832

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

Density: 1.2±0.1 g/cm3
Boiling Point: 821.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.8±6.0 kJ/mol
Flash Point: 450.4±34.3 °C
Index of Refraction: 1.513
Molar Refractivity: 174.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 4
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 579.4±3.0 cm3

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