ChemSpider 2D Image | PLATYCARYANIN D | C34H24O22

PLATYCARYANIN D

  • Molecular FormulaC34H24O22
  • Average mass784.541 Da
  • Monoisotopic mass784.075928 Da
  • ChemSpider ID52085216

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7R,8S)-8-[(7R,8R)-1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl]-1,2,3,12,13,14-hexahydroxy-5,10-dioxo-5,7,8,10-tetrahydrodibenzo[f,h][1,4]di oxecin-7-carbaldehyd [German] [ACD/IUPAC Name]
(7R,8S)-8-[(7R,8R)-1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl]-1,2,3,12,13,14-hexahydroxy-5,10-dioxo-5,7,8,10-tetrahydrodibenzo[f,h][1,4]di oxecine-7-carbaldehyde [ACD/IUPAC Name]
(7R,8S)-8-[(7R,8R)-1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tétrahydro-7H-dibenzo[g,i][1,5]dioxacycloundécin-7-yl]-1,2,3,12,13,14-hexahydroxy-5,10-dioxo-5,7,8,10-tétrahydrodibenzo[f,h][1,4]di oxécine-7-carbaldéhyde [French] [ACD/IUPAC Name]
155073-98-6 [RN]
Dibenzo[f,h][1,4]dioxecin-7-carboxaldehyde, 5,7,8,10-tetrahydro-1,2,3,12,13,14-hexahydroxy-5,10-dioxo-8-[(7R,8R)-5,8,9,11-tetrahydro-1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-7H-dibenzo[g,i][1,5]dioxac ycloundecin-7-yl]-, (7R,8S)- [ACD/Index Name]
PLATYCARYANIN D

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

8S667O756P [DBID]
UNII:8S667O756P [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1556.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 253.3±3.0 kJ/mol
Flash Point: 481.1±27.8 °C
Index of Refraction: 1.829
Molar Refractivity: 175.6±0.3 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.58
ACD/KOC (pH 5.5): 118.84
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 58.38
Polar Surface Area: 385 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 134.1±3.0 dyne/cm
Molar Volume: 400.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement