ChemSpider 2D Image | swinhoeiamide A | C40H65N2O12P

swinhoeiamide A

  • Molecular FormulaC40H65N2O12P
  • Average mass796.924 Da
  • Monoisotopic mass796.427490 Da
  • ChemSpider ID10141189

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 11 defined stereocentres

More details:

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

(2R,5S,7S,8S,9S)-2-[(1S,7E,9E,13Z)-15-Amino-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-15-oxo-7,9,13-pentadecatrien-1-yl]-9-methoxy-4,4,8-trimethyl-7-[(2E)-3-(2-methyl-1,3-oxazol-4-yl)-2-propen-1- yl]-1,6-dioxaspiro[4.5]dec-3-yl dihydrogen phosphate [ACD/IUPAC Name]
(2R,5S,7S,8S,9S)-2-[(1S,7E,9E,13Z)-15-Amino-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-15-oxo-7,9,13-pentadecatrien-1-yl]-9-methoxy-4,4,8-trimethyl-7-[(2E)-3-(2-methyl-1,3-oxazol-4-yl)-2-propen-1- yl]-1,6-dioxaspiro[4.5]dec-3-yldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (2R,5S,7S,8S,9S)-2-[(1S,7E,9E,13Z)-15-amino-3,5-dihydroxy-1-méthoxy-4,6,8,9,13-pentaméthyl-15-oxo-7,9,13-pentadécatrién-1-yl]-9-méthoxy-4,4,8-triméthyl-7-[(2E)-3-(2-méthyl-1,3- oxazol-4-yl)-2-propén-1-yl]-1,6-dioxaspiro[4.5]déc-3-yle [French] [ACD/IUPAC Name]
swinhoeiamide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 915.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 507.5±37.1 °C
Index of Refraction: 1.553
Molar Refractivity: 208.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.85
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 82.6±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 650.8±5.0 cm3

Click to predict properties on the Chemicalize site


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