ChemSpider 2D Image | goniodomin A | C43H60O12

goniodomin A

  • Molecular FormulaC43H60O12
  • Average mass768.929 Da
  • Monoisotopic mass768.408447 Da
  • ChemSpider ID27025933

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(1S,5S,6S,10R,11S,14S,16R,17R,19Z,21S,24R,27S,28S,29R,31R)-16,17,27-Trihydroxy-21-[(2R,3R,4S)-2-hydroxy-3,4-dimethyltetrahydro-2H-pyran-2-yl]-31-methyl-2,15,25,30-tetrakis(methylene)-22,33,34,35,36,37 ;-hexaoxahexacyclo[27.3.1.11,5.16,10.111,14.124,28]heptatriaconta-8,19-dien-23-one [ACD/IUPAC Name]
(1S,5S,6S,10R,11S,14S,16R,17R,19Z,21S,24R,27S,28S,29R,31R)-16,17,27-Trihydroxy-21-[(2R,3R,4S)-2-hydroxy-3,4-dimethyltetrahydro-2H-pyran-2-yl]-31-methyl-2,15,25,30-tetramethylen-22,33,34,35,36,37-hexao ;xahexacyclo[27.3.1.11,5.16,10.111,14.124,28]heptatriaconta-8,19-dien-23-on [German] [ACD/IUPAC Name]
(1S,5S,6S,10R,11S,14S,16R,17R,19Z,21S,24R,27S,28S,29R,31R)-16,17,27-Trihydroxy-21-[(2R,3R,4S)-2-hydroxy-3,4-diméthyltétrahydro-2H-pyran-2-yl]-31-méthyl-2,15,25,30-tétraméthylène-22,33,34,35,36,37-hexa ;oxahexacyclo[27.3.1.11,5.16,10.111,14.124,28]heptatriaconta-8,19-dién-23-one [French] [ACD/IUPAC Name]
(1S,5S,6S,10R,11S,14S,16R,17R,19Z,21S,24R,27S,28S,29R,31R)-16,17,27-Trihydroxy-31-methyl-2,15,25,30-tetrakis(methylene)-21-[(2R,3R,4S)-tetrahydro-2-hydroxy-3,4-dimethyl-2H-pyran-2-yl]-22,33,34,35,36,37-hexaoxahexacyclo[27.3.1.11,5.16,10.111,14.124,28]heptatriaconta-8,19-dien-23-one
112923-40-7 [RN]
goniodomin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 891.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.1±6.0 kJ/mol
Flash Point: 264.1±27.8 °C
Index of Refraction: 1.591
Molar Refractivity: 203.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 834.94
ACD/KOC (pH 5.5): 4294.59
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 834.92
ACD/KOC (pH 7.4): 4294.47
Polar Surface Area: 163 Å2
Polarizability: 80.5±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 600.6±5.0 cm3

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