ChemSpider 2D Image | (7S)-7-(Hydroxymethyl)-7,8-dihydro-6H-dibenzo[b,d]oxocine-3,7,10,11-tetrol | C16H16O6

(7S)-7-(Hydroxymethyl)-7,8-dihydro-6H-dibenzo[b,d]oxocine-3,7,10,11-tetrol

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID31047848
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(7S)-7-(Hydroxymethyl)-7,8-dihydro-6H-dibenzo[b,d]oxocin-3,7,10,11-tetrol [German] [ACD/IUPAC Name]
(7S)-7-(Hydroxymethyl)-7,8-dihydro-6H-dibenzo[b,d]oxocine-3,7,10,11-tetrol [ACD/IUPAC Name]
(7S)-7-(Hydroxyméthyl)-7,8-dihydro-6H-dibenzo[b,d]oxocine-3,7,10,11-tétrol [French] [ACD/IUPAC Name]
6H-Dibenz[b,d]oxocin-3,7,10,11-tetrol, 7,8-dihydro-7-(hydroxymethyl)-, (7S)- [ACD/Index Name]
(7S)-3,7,10,11-Tetrahydroxy-7,8-dihydro-6H-dibenzo[b,d]oxocin-7-methanol
102036-29-3 [RN]
6H-Dibenz[b,d]oxocin-3,7,10,11-tetrol,7,8-dihydro-7-(hydroxymethyl)-, (7S,12aS)-
NH26686
Protosappanin B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 655.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.2±31.5 °C
Index of Refraction: 1.700
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.35
ACD/KOC (pH 5.5): 115.58
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.19
ACD/KOC (pH 7.4): 112.09
Polar Surface Area: 110 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 82.7±3.0 dyne/cm
Molar Volume: 201.9±3.0 cm3

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