ChemSpider 2D Image | (2S,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)]}di(3,4-~13~C_2_)butanedioic acid | C3013C4H59NO15

(2S,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)]}di(3,4-13C2)butanedioic acid

  • Molecular FormulaC3013C4H59NO15
  • Average mass725.801 Da
  • Monoisotopic mass725.401917 Da
  • ChemSpider ID76920363

  • defined stereocentres - 10 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,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)]}di(3,4-13C2)butandisäure [German] [ACD/IUPAC Name]
(2S,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)]}di(3,4-13C2)butanedioic acid [ACD/IUPAC Name]
1,2,3-Propane-1-13C-tricarboxylic-1-13C acid, 3,3'-[(1S,2R)-1-[(2S,4R,9R,11S,12S)-12-amino-4,9,11-trihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl] ester, (2S,2'R)- [ACD/Index Name]
Acide (2S,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)]}di(3,4-13C2)butanedioïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.528
Molar Refractivity: 177.1±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: 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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