Found 18 results

Search term: MF = 'C_{32}H_{58}N_{2}O_{8}'
ChemSpider 2D Image | Tridecyl (3S)-1-methyl-7-oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8-methyl-6-nonenoyl]amino}-3-azepanecarboxylate | C32H58N2O8

Tridecyl (3S)-1-methyl-7-oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8-methyl-6-nonenoyl]amino}-3-azepanecarboxylate

  • Molecular FormulaC32H58N2O8
  • Average mass598.812 Da
  • Monoisotopic mass598.419312 Da
  • ChemSpider ID23204124

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3S)-1-Méthyl-7-oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-méthoxy-8-méthyl-6-nonenoyl]amino}-3-azépanecarboxylate de tridécyle [French] [ACD/IUPAC Name]
Tridecyl (3S)-1-methyl-7-oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8-methyl-6-nonenoyl]amino}-3-azepanecarboxylate [ACD/IUPAC Name]
tridecyl (3S)-1-methyl-7-oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino}azepane-3-carboxylate (non-preferred name)
Tridecyl-(3S)-1-methyl-7-oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8-methyl-6-nonenoyl]amino}-3-azepancarboxylat [German] [ACD/IUPAC Name]
1-Methyl-7-oxo-6-(3,4,5-trihydroxy-2-methoxy-8-methyl-non-6-enoylamino)-azepane-3-carboxylic acid tridecyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 774.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 421.9±32.9 °C
Index of Refraction: 1.521
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13283.08
ACD/KOC (pH 5.5): 31120.41
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13282.94
ACD/KOC (pH 7.4): 31120.10
Polar Surface Area: 146 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 538.0±5.0 cm3

Click to predict properties on the Chemicalize site


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