ChemSpider 2D Image | MFCD11109348 | 13C34H59NO14

MFCD11109348

  • Molecular Formula13C34H59NO14
  • Average mass739.581 Da
  • Monoisotopic mass739.507629 Da
  • ChemSpider ID49071640

  • defined stereocentres - 7 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1,2,3-Propane-13C3-tricarboxylic-13C3 acid, 1-[(1R,2S,4S,6R,13S,14R)-14-amino-2-[[3,4-di(carboxy-13C)-1-oxobutyl-1,2,3,4-13C4]oxy]-6,13-dihydroxy-4-(methyl-13C)-1-[(1R)-1-(methyl-13C )pentyl-1,2,3,4,5-13C5]pentadecyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15-13C15] ester [ACD/Index Name]
2,2'-([(5R,6R,7S,9S,11R,18S,19R)-19-Amino-11,18-dihydroxy-5,9-bis[(13C)methyl](13C20)-6,7-icosandiyl]bis{oxy[2-oxo(13C2)-2,1-ethandiyl]})di(13C4)butandisäure [German] [ACD/IUPAC Name]
2,2'-([(5R,6R,7S,9S,11R,18S,19R)-19-Amino-11,18-dihydroxy-5,9-bis[(13C)methyl](13C20)-6,7-icosanediyl]bis{oxy[2-oxo(13C2)-2,1-ethanediyl]})di(13C4)butanedioic acid [ACD/IUPAC Name]
Acide 2,2'-([(5R,6R,7S,9S,11R,18S,19R)-19-amino-11,18-dihydroxy-5,9-bis[(13C)méthyl](13C20)-6,7-icosanediyl]bis{oxy[2-oxo(13C2)-2,1-éthanediyl]})di(13C4)butanedioïque [French] [ACD/IUPAC Name]
MFCD11109348
1217494-88-6 [RN]
2-[2-[(5R,6R,7S,9S,11R,18S,19R)-19-amino-6-[3,4-bis(hydroxycarbonyl)(1,2,3,4-13C4)butanoyloxy]-11,18-dihydroxy-5,9-di((113C)methyl)(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-13C20)icosan-7-yl]oxy-2-oxo(1,2-13C2)ethyl](1,2,3,4-13C4)butanedioic acid
Fumonisin B3-13C34missing

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.520
Molar Refractivity: 175.6±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 577.3±3.0 cm3

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