ChemSpider 2D Image | (2S,2'S,8'S)-4,5',6-Trihydroxy-2',8'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H,3H-spiro[1-benzofuran-2,9'-furo[2,3-h]chromen]-3-one | C30H22O9

(2S,2'S,8'S)-4,5',6-Trihydroxy-2',8'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H,3H-spiro[1-benzofuran-2,9'-furo[2,3-h]chromen]-3-one

  • Molecular FormulaC30H22O9
  • Average mass526.490 Da
  • Monoisotopic mass526.126404 Da
  • ChemSpider ID65356

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,2'S,8'S)-4,5',6-Trihydroxy-2',8'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H,3H-spiro[1-benzofuran-2,9'-furo[2,3-h]chromen]-3-one [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),9'(8'H)-[2H]furo[2,3-h][1]benzopyran]-3-one, 3',4'-dihydro-4,5',6-trihydroxy-2',8'-bis(4-hydroxyphenyl)-, (2S,2'S,8'S)- [ACD/Index Name]
(2S,2'S,8'S)-4,5',6-trihydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one
[3',4'-Dihydro-4,5',6-trihydroxy-2',8'-bis(4-hydroxyphenyl)spiro[benzofuran-2(3H),9'(8'H)-[2H]furo[2,3-h][1]benzopyran-3-one, (8'-S-cis)
95733-04-3 [RN]
daphnodorin C
Sprio(benzofuran-2(3H),9'(8'H)-(2H)furo(2,3-h)(1)benzopyran)-3-one, 3',4'-dihydro-4,5',6-trihydroxy-2',8'-bis(4-hydroxyphenyl)-, (8'S-cis)-

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

AIDS006417 [DBID]
AIDS-006417 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 865.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.1±3.0 kJ/mol
Flash Point: 293.9±27.8 °C
Index of Refraction: 1.829
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1294.57
ACD/KOC (pH 5.5): 5774.04
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 194.14
ACD/KOC (pH 7.4): 865.89
Polar Surface Area: 146 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 112.0±5.0 dyne/cm
Molar Volume: 308.8±5.0 cm3

Click to predict properties on the Chemicalize site


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