ChemSpider 2D Image | irijimaside C | C32H50O10

irijimaside C

  • Molecular FormulaC32H50O10
  • Average mass594.733 Da
  • Monoisotopic mass594.340393 Da
  • ChemSpider ID83286994

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,5R,7E,9S,11S,12S,13S)-1-Hydroxy-9-methoxy-7,12-dimethyl-5-[(1E,3E)-1,3,7-octatrien-1-yl]-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-7-en-13-yl 6-deoxy-2,3-di-O-methyl-α-L-mannopyranoside [ACD/IUPAC Name]
(1S,5R,7E,9S,11S,12S,13S)-1-Hydroxy-9-methoxy-7,12-dimethyl-5-[(1E,3E)-1,3,7-octatrien-1-yl]-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-7-en-13-yl-6-desoxy-2,3-di-O-methyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4,15-Dioxabicyclo[9.3.1]pentadec-7-en-3-one, 13-[(6-deoxy-2,3-di-O-methyl-α-L-mannopyranosyl)oxy]-1-hydroxy-9-methoxy-7,12-dimethyl-5-[(1E,3E)-1,3,7-octatrien-1-yl]-, (1S,5R,7E,9S,11S,12S,13S)- [ACD/Index Name]
6-Désoxy-2,3-di-O-méthyl-α-L-mannopyranoside de (1S,5R,7E,9S,11S,12S,13S)-1-hydroxy-9-méthoxy-7,12-diméthyl-5-[(1E,3E)-1,3,7-octatrién-1-yl]-3-oxo-4,15-dioxabicyclo[9.3.1]pentadéc-7-én-13-yle [French] [ACD/IUPAC Name]
irijimaside C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 717.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 220.9±26.4 °C
Index of Refraction: 1.534
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 514.98
ACD/KOC (pH 5.5): 3038.78
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 514.95
ACD/KOC (pH 7.4): 3038.64
Polar Surface Area: 122 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 509.8±5.0 cm3

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