ChemSpider 2D Image | FB1 | C34H59NO15

FB1

  • Molecular FormulaC34H59NO15
  • Average mass721.830 Da
  • Monoisotopic mass721.388489 Da
  • ChemSpider ID2015282

  • defined stereocentres - 10 of 10 defined stereocentres

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(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,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]
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,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]
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-Amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}disuccinic acid
1,2,3-Propanetricarboxylic acid, 1-[(1S,3S,5R,10R,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-dicarboxy-1-oxobutoxy]-2-methylhexyl]-5,10,12-trihydroxy-3-methyltetradecyl] ester, (2R)- [ACD/Index Name]
116355-83-0 [RN]
Acide (2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,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]
FB1
Fumonisin B1
Fumonisin B1 from Fusarium moniliforme
Macrofusine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3ZZM97XZ32 [DBID]
34139_RIEDEL [DBID]
nchembio742-comp3 [DBID]
PN 200-110 | [DBID]
UNII:3ZZM97XZ32 [DBID]
UNII-3ZZM97XZ32 [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: 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


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