ChemSpider 2D Image | Daldinone B | C20H12O6

Daldinone B

  • Molecular FormulaC20H12O6
  • Average mass348.306 Da
  • Monoisotopic mass348.063385 Da
  • ChemSpider ID9957681

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1aR,3S,11dR)-3,4,8,9-Tetrahydroxy-3,11d-dihydroacenaphtho[1',2':7,8]naphtho[1,2-b]oxiren-2(1aH)-on [German] [ACD/IUPAC Name]
(1aR,3S,11dR)-3,4,8,9-Tetrahydroxy-3,11d-dihydroacenaphtho[1',2':7,8]naphtho[1,2-b]oxiren-2(1aH)-one [ACD/IUPAC Name]
(1aR,3S,11dR)-3,4,8,9-Tétrahydroxy-3,11d-dihydroacénaphto[1',2':7,8]naphto[1,2-b]oxirén-2(1aH)-one [French] [ACD/IUPAC Name]
Acenaphtho[1',2':7,8]naphth[1,2-b]oxiren-2(1aH)-one, 3,11d-dihydro-3,4,8,9-tetrahydroxy-, (1aR,3S,11dR)- [ACD/Index Name]
Daldinone B

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

Density: 1.9±0.1 g/cm3
Boiling Point: 723.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 271.5±26.4 °C
Index of Refraction: 2.042
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 111 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 129.0±3.0 dyne/cm
Molar Volume: 187.4±3.0 cm3

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