ChemSpider 2D Image | Bengamide L | C32H58N2O8

Bengamide L

  • Molecular FormulaC32H58N2O8
  • Average mass598.812 Da
  • Monoisotopic mass598.419312 Da
  • ChemSpider ID4977708

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,6S)-7-Oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8-methyl-6-nonenoyl]amino}-3-azepanyl 13-methyltetradecanoate [ACD/IUPAC Name]
(3S,6S)-7-Oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8-methyl-6-nonenoyl]amino}-3-azepanyl-13-methyltetradecanoat [German] [ACD/IUPAC Name]
13-Méthyltétradécanoate de (3S,6S)-7-oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-méthoxy-8-méthyl-6-nonenoyl]amino}-3-azépanyle [French] [ACD/IUPAC Name]
Bengamide L
(3S,6S)-7-oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino}azepan-3-yl 13-methyltetradecanoate (non-preferred name)
6-(4S,2R,3R,5R)-3,4,5-Trihydroxy-2-methoxy-8-methylnon-6-enoylamino)(3S,6S)-7-oxoazaperhydroepin-3-yl 13-methyltetradecanoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL456787/

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

AIDS109674 [DBID]
AIDS-109674 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 791.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±6.0 kJ/mol
Flash Point: 432.4±32.9 °C
Index of Refraction: 1.518
Molar Refractivity: 163.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2107.81
ACD/KOC (pH 5.5): 8332.88
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2107.75
ACD/KOC (pH 7.4): 8332.63
Polar Surface Area: 154 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 539.8±5.0 cm3

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