Found 51 results

Search term: MF = 'C_{31}H_{40}O_{10}'
ChemSpider 2D Image | (1R,6R)-6-Hydroxy-4-{(2S,4S,6S)-2,4,8-trihydroxy-6-[(4-methoxybenzoyl)oxy]octyl}-3-cyclohepten-1-yl 4-methoxybenzoate | C31H40O10

(1R,6R)-6-Hydroxy-4-{(2S,4S,6S)-2,4,8-trihydroxy-6-[(4-methoxybenzoyl)oxy]octyl}-3-cyclohepten-1-yl 4-methoxybenzoate

  • Molecular FormulaC31H40O10
  • Average mass572.643 Da
  • Monoisotopic mass572.262146 Da
  • ChemSpider ID9551495

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,6R)-6-Hydroxy-4-{(2S,4S,6S)-2,4,8-trihydroxy-6-[(4-methoxybenzoyl)oxy]octyl}-3-cyclohepten-1-yl 4-methoxybenzoate [ACD/IUPAC Name]
(1R,6R)-6-Hydroxy-4-{(2S,4S,6S)-2,4,8-trihydroxy-6-[(4-methoxybenzoyl)oxy]octyl}-3-cyclohepten-1-yl-4-methoxybenzoat [German] [ACD/IUPAC Name]
4-Méthoxybenzoate de (1R,6R)-6-hydroxy-4-{(2S,4S,6S)-2,4,8-trihydroxy-6-[(4-méthoxybenzoyl)oxy]octyl}-3-cycloheptén-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-, (1S,3S,5S)-3,5-dihydroxy-1-(2-hydroxyethyl)-6-[(4R,6R)-6-hydroxy-4-[(4-methoxybenzoyl)oxy]-1-cyclohepten-1-yl]hexyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 763.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 242.9±26.4 °C
Index of Refraction: 1.595
Molar Refractivity: 150.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 365.95
ACD/KOC (pH 5.5): 2379.59
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 365.95
ACD/KOC (pH 7.4): 2379.59
Polar Surface Area: 152 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 442.1±5.0 cm3

Click to predict properties on the Chemicalize site


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