Found 12 results

Search term: MF = 'C_{42}H_{54}O_{10}'
ChemSpider 2D Image | 3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-[(3Z,6Z,9Z,12Z,15Z,18Z)-3,6,9,12,15,18-henicosahexaen-1-yl]-beta-D-glucopyranoside | C42H54O10

3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-[(3Z,6Z,9Z,12Z,15Z,18Z)-3,6,9,12,15,18-henicosahexaen-1-yl]-β-D-glucopyranoside

  • Molecular FormulaC42H54O10
  • Average mass718.872 Da
  • Monoisotopic mass718.371704 Da
  • ChemSpider ID29397854

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[2-[[6-O-[(3Z,6Z,9Z,12Z,15Z,18Z)-3,6,9,12,15,18-heneicosahexaen-1-yl]-β-D-glucopyranosyl]oxy]-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-[(3Z,6Z,9Z,12Z,15Z,18Z)-3,6,9,12,15,18-henicosahexaen-1-yl]-β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl-6-O-[(3Z,6Z,9Z,12Z,15Z,18Z)-3,6,9,12,15,18-henicosahexaen-1-yl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(3Z,6Z,9Z,12Z,15Z,18Z)-3,6,9,12,15,18-Hénicosahexaén-1-yl]-β-D-glucopyranoside de 3,5-dihydroxy-2-[3-(4-hydroxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 870.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 258.1±27.8 °C
Index of Refraction: 1.600
Molar Refractivity: 204.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 9.51
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 229421.36
ACD/KOC (pH 5.5): 236780.94
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 58087.98
ACD/KOC (pH 7.4): 59951.37
Polar Surface Area: 166 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 597.7±3.0 cm3

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