There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

ChemSpider 2D Image | Fumonisin B1 | C34H59NO15

Fumonisin B1

  • Molecular FormulaC34H59NO15
  • Average mass721.830 Da
  • Monoisotopic mass721.388489 Da
  • ChemSpider ID56109
  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Fumonisin B1
(2S,2'S)-2,2'-{[(5S,6R,7R,9R,11S,16R,18S,19S)-19-Amino-11,16,18-trihydroxy-5,9-dimethyl-6,7-icosandiyl]bis[oxy(2-oxo-2,1-ethandiyl)]}dibernsteinsäure [German] [ACD/IUPAC Name]
(2S,2'S)-2,2'-{[(5S,6R,7R,9R,11S,16R,18S,19S)-19-Amino-11,16,18-trihydroxy-5,9-dimethyl-6,7-icosanediyl]bis[oxy(2-oxo-2,1-ethanediyl)]}disuccinic acid [ACD/IUPAC Name]
(2S,2'S)-2,2'-{[(5S,6R,7R,9R,11S,16R,18S,19S)-19-amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
1,2,3-Propanetricarboxylic acid, 1,1'-[(1R,2R)-1-[(2R,4S,9R,11S,12S)-12-amino-4,9,11-trihydroxy-2-methyltridecyl]-2-[(1S)-1-methylpentyl]-1,2-ethanediyl] ester, (2S,2'S)- [ACD/Index Name]
Acide (2S,2'S)-2,2'-{[(5S,6R,7R,9R,11S,16R,18S,19S)-19-amino-11,16,18-trihydroxy-5,9-diméthyl-6,7-icosanediyl]bis[oxy(2-oxo-2,1-éthanediyl)]}disuccinique [French] [ACD/IUPAC Name]
(S)-3-Carboxy-pentanedioic acid mono-[(1R,2R,4R,6S,11R,13S,14S)-14-amino-2-((S)-3,4-dicarboxy-butyryloxy)-6,11,13-trihydroxy-4-methyl-1-((S)-1-methyl-pentyl)-pentadecyl] ester
1,2,3-Propanetricarboxylic acid, 1,1'-(1-(12-amino-4,9,11-trihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl) ester
1,2,3-Propanetricarboxylic acid, 1,1'-(1-(12-amino-4,9,11-trihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl)ester
116355-83-0 [RN]

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

HSDB 7077 [DBID]
NSC 629151 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 924.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.7±6.0 kJ/mol
Flash Point: 513.2±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 177.1±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 575.2±3.0 cm3

Click to predict properties on the Chemicalize site