ChemSpider 2D Image | FB1 | C34H59NO15

FB1

  • Molecular FormulaC34H59NO15
  • Average mass721.830 Da
  • Monoisotopic mass721.388489 Da
  • ChemSpider ID3313

More details:






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

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 [ACD/Index Name]
2,2'-{(19-Amino-11,16,18-trihydroxy-5,9-dimethyl-6,7-icosandiyl)bis[oxy(2-oxo-2,1-ethandiyl)]}dibernsteinsäure [German] [ACD/IUPAC Name]
2,2'-{(19-Amino-11,16,18-trihydroxy-5,9-dimethyl-6,7-icosanediyl)bis[oxy(2-oxo-2,1-ethanediyl)]}disuccinic acid [ACD/IUPAC Name]
2,2'-{(19-amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl)bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
2,2'-{(19-Amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl)bis[oxy(2-oxoethane-2,1-diyl)]}disuccinic acid
Acide 2,2'-{(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
(2S)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
1,1-[(1S,2R)-1-[(2S,4R,9R,11S,12S)-12-Amino-4,9,11-trihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl-1,2,3-(2R,2R)-propanetricarboxylic acid ester.
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS133462 [DBID]
AIDS-133462 [DBID]
CCRIS 4433 [DBID]
F1147_SIGMA [DBID]
MLS000517270 [DBID]
NCI60_009465 [DBID]
NSC629151 [DBID]
SMR000127506 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      40-36-20/21/22-11 LKT Labs [F8149]
      Carc., Xi, F, Xn LKT Labs [F8149]
      H351 H319 H302 H312 H332 LKT Labs [F8149]

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






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