ChemSpider 2D Image | (3S,5Z,8S,9R)-8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | C19H24O7

(3S,5Z,8S,9R)-8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

  • Molecular FormulaC19H24O7
  • Average mass364.390 Da
  • Monoisotopic mass364.152191 Da
  • ChemSpider ID21613591
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3S,5Z,8S,9R)-8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1,7(8H)-dion [German] [ACD/IUPAC Name]
(3S,5Z,8S,9R)-8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione [ACD/IUPAC Name]
(3S,5Z,8S,9R)-8,9,16-Trihydroxy-14-méthoxy-3-méthyl-3,4,9,10,11,12-hexahydro-1H-2-benzoxacyclotétradécine-1,7(8H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,9,10,11,12-hexahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-, (3S,5Z,8S,9R)- [ACD/Index Name]

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

L-783277 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 660.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 236.9±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.18
ACD/KOC (pH 5.5): 329.42
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 14.08
ACD/KOC (pH 7.4): 200.03
Polar Surface Area: 113 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 291.9±3.0 cm3

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