ChemSpider 2D Image | Strevertene A | C31H48O10

Strevertene A

  • Molecular FormulaC31H48O10
  • Average mass580.707 Da
  • Monoisotopic mass580.324768 Da
  • ChemSpider ID8897301

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3S,4E,6E,8E,10E,12E,14R,15R,16R,18R,22S,24S,26S,27R)-14,16,18,22,24,26-Hexahydroxy-2,3,27-trimethyl-28-oxooxacyclooctacosa-4,6,8,10,12-pentaen-15-carbonsäure [German] [ACD/IUPAC Name]
(2R,3S,4E,6E,8E,10E,12E,14R,15R,16R,18R,22S,24S,26S,27R)-14,16,18,22,24,26-Hexahydroxy-2,3,27-trimethyl-28-oxooxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid [ACD/IUPAC Name]
Acide (2R,3S,4E,6E,8E,10E,12E,14R,15R,16R,18R,22S,24S,26S,27R)-14,16,18,22,24,26-hexahydroxy-2,3,27-triméthyl-28-oxooxacyclooctacosa-4,6,8,10,12-pentaène-15-carboxylique [French] [ACD/IUPAC Name]
Oxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid, 14,16,18,22,24,26-hexahydroxy-2,3,27-trimethyl-28-oxo-, (2R,3S,4E,6E,8E,10E,12E,14R,15R,16R,18R,22S,24S,26S,27R)- [ACD/Index Name]
Strevertene A
(3R,4S,6S,8S,12R,14R,15R,16R,17E,19E,21E,23E,25E,27S,28R)-4,6,8,12,14,16-hexahydroxy-3,27,28-trimethyl-2-oxo-1-oxacyclooctacosa-17,19,21,23,25-pentaene-15-carboxylic acid
235090-14-9 [RN]
Compound NP-007208

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

Density: 1.1±0.1 g/cm3
Boiling Point: 856.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.4±6.0 kJ/mol
Flash Point: 270.5±27.8 °C
Index of Refraction: 1.522
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 0.92
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.09
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 504.8±3.0 cm3

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