ChemSpider 2D Image | Gomisin G | C30H32O9

Gomisin G

  • Molecular FormulaC30H32O9
  • Average mass536.570 Da
  • Monoisotopic mass536.204651 Da
  • ChemSpider ID24717043

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S,7S,8S)-7-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl benzoate [ACD/IUPAC Name]
(6S,7S,8S)-7-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl-benzoat [German] [ACD/IUPAC Name]
62956-48-3 [RN]
Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-7,8-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 8-benzoate, (6S,7S,8S)- [ACD/Index Name]
Benzoate de (6S,7S,8S)-7-hydroxy-1,2,3,13-tétraméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yle [French] [ACD/IUPAC Name]
Gomisin G
[62956-48-3] [RN]
Gomisin-G
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515928/
Methyl 1-(pyridin-2-yl)cyclopropanecarboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6B4CV8T31X [DBID]
UNII:6B4CV8T31X [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 217.2±25.0 °C
Index of Refraction: 1.623
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2879.45
ACD/KOC (pH 5.5): 10417.62
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2879.44
ACD/KOC (pH 7.4): 10417.62
Polar Surface Area: 102 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 401.1±5.0 cm3

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