ChemSpider 2D Image | (1S,14R)-4,9,19,24-Tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1~1,16~.1~4,8~.0~2,13~.0~12,26~.0~20,25~]hexacosa-2(13),8(26),9,11,16(25),17,19-heptaene-3,7,15,21-tetrone | C26H18O10

(1S,14R)-4,9,19,24-Tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8(26),9,11,16(25),17,19-heptaene-3,7,15,21-tetrone

  • Molecular FormulaC26H18O10
  • Average mass490.415 Da
  • Monoisotopic mass490.089996 Da
  • ChemSpider ID78437186

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1S,14R)-4,9,19,24-Tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8(26),9,11,16(25),17,19-heptaen-3,7,15,21-tetron [German] [ACD/IUPAC Name]
(1S,14R)-4,9,19,24-Tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8(26),9,11,16(25),17,19-heptaene-3,7,15,21-tetrone [ACD/IUPAC Name]
(1S,14R)-4,9,19,24-Tétrahydroxy-11,17-diméthyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8(26),9,11,16(25),17,19-heptaène-3,7,15,21-tétrone [French] [ACD/IUPAC Name]
7H-8,15b-Methano-1H,3H,12H-pyrano[3'',4'',5'':4',5']naphtho[1',2':6,7]cyclohepta[1,2,3-de]-2-benzopyran-3,7,12,15(8H)-tetrone, 14,14a-dihydro-4,11,14a,16-tetrahydroxy-6,9-dimethyl-, (8R,15bS)- [ACD/Index Name]
bacillisporin D

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1025.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.9±3.0 kJ/mol
Flash Point: 355.5±27.8 °C
Index of Refraction: 1.825
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 363.46
ACD/KOC (pH 5.5): 2364.07
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 246.55
ACD/KOC (pH 7.4): 1603.61
Polar Surface Area: 168 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 120.0±5.0 dyne/cm
Molar Volume: 264.3±5.0 cm3

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