ChemSpider 2D Image | Xantholipin | C27H18ClNO10

Xantholipin

  • Molecular FormulaC27H18ClNO10
  • Average mass551.885 Da
  • Monoisotopic mass551.061951 Da
  • ChemSpider ID9181348

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8aR,9aS,15aR)-3-Chlor-15a,16-dihydroxy-4-methoxy-12-methyl-9a,15a-dihydro-9H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isochinolin-10,14,15,17(8aH,13H)-tetron [German] [ACD/IUPAC Name]
(8aR,9aS,15aR)-3-Chloro-15a,16-dihydroxy-4-methoxy-12-methyl-9a,15a-dihydro-9H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-10,14,15,17(8aH,13H)-tetrone [ACD/IUPAC Name]
(8aR,9aS,15aR)-3-Chloro-15a,16-dihydroxy-4-méthoxy-12-méthyl-9a,15a-dihydro-9H-chroméno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphto[2,1-g]isoquinoléine-10,14,15,17(8aH,13H)-tétrone [French] [ACD/IUPAC Name]
9H-[1]Benzopyrano[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphth[2,1-g]isoquinoline-10,14,15,17(8aH,13H)-tetrone, 3-chloro-9a,15a-dihydro-15a,16-dihydroxy-4-methoxy-12-methyl-, (8aR,9aS,15aR)- [ACD/Index Name]
Xantholipin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 908.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 503.4±34.3 °C
Index of Refraction: 1.772
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.43
ACD/KOC (pH 5.5): 79.03
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.32
Polar Surface Area: 158 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 99.4±5.0 dyne/cm
Molar Volume: 309.2±5.0 cm3

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