Found 18 results

Search term: MF = 'C_{32}H_{58}N_{2}O_{8}'
ChemSpider 2D Image | bengamide I | C32H58N2O8

bengamide I

  • Molecular FormulaC32H58N2O8
  • Average mass598.812 Da
  • Monoisotopic mass598.419312 Da
  • ChemSpider ID10476754

  • 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 pentadecanoate [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-pentadecanoat [German] [ACD/IUPAC Name]
bengamide I
Pentadécanoate 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]
(3S,6S)-7-oxo-6-{[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino}azepan-3-yl pentadecanoate (non-preferred name)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450783/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 795.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 434.8±32.9 °C
Index of Refraction: 1.519
Molar Refractivity: 163.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 13955.80
ACD/KOC (pH 5.5): 32240.65
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 13955.38
ACD/KOC (pH 7.4): 32239.66
Polar Surface Area: 154 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 539.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement