ChemSpider 2D Image | phelligridimer A | C52H32O20

phelligridimer A

  • Molecular FormulaC52H32O20
  • Average mass976.799 Da
  • Monoisotopic mass976.148682 Da
  • ChemSpider ID65323037

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,10Z,22S,23S,30E)-3,23-Bis(3,4-dihydroxyphenyl)-14,15,34,35,42,45-hexahydroxy-4,8,20,24,28,40-hexaoxanonacyclo[36.2.2.218,21.15,9.125,29.02,6.012,17.022,26.032,37]hexatetraconta-1(
 41),5,9(46),10,12,14,16,18(45),21(44),25,29(43),30,32,34,36,38(42)-hexadecaen-7,19,27,39-tetron [German] [ACD/IUPAC Name]
(2S,3S,10Z,22S,23S,30E)-3,23-Bis(3,4-dihydroxyphenyl)-14,15,34,35,42,45-hexahydroxy-4,8,20,24,28,40-hexaoxanonacyclo[36.2.2.218,21.15,9.125,29.02,6.012,17.022,26.032,37]hexatetraconta-1(
 41),5,9(46),10,12,14,16,18(45),21(44),25,29(43),30,32,34,36,38(42)-hexadecaene-7,19,27,39-tetrone [ACD/IUPAC Name]
(2S,3S,10Z,22S,23S,30E)-3,23-Bis(3,4-dihydroxyphényl)-14,15,34,35,42,45-hexahydroxy-4,8,20,24,28,40-hexaoxanonacyclo[36.2.2.218,21.15,9.125,29.02,6.012,17.022,26.032,37]hexatétraconta-1(
 41),5,9(46),10,12,14,16,18(45),21(44),25,29(43),30,32,34,36,38(42)-hexadécaène-7,19,27,39-tétrone [French] [ACD/IUPAC Name]
phelligridimer A

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.907
Molar Refractivity: 238.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 23.06
ACD/KOC (pH 5.5): 165.98
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.52
Polar Surface Area: 326 Å2
Polarizability: 94.6±0.5 10-24cm3
Surface Tension: 141.0±5.0 dyne/cm
Molar Volume: 510.4±5.0 cm3

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