Found 12 results

Search term: MF = 'C_{42}H_{54}O_{10}'
ChemSpider 2D Image | 2-O-Benzyl-4,5-dideoxy-2-C-[(1S,2S,5S,6R,7R,8R,9S)-2,7-dihydroxy-6-(methoxymethoxy)-8-methyl-11-oxatricyclo[5.3.1.1~2,5~]dodec-9-yl]-1,3-bis-O-(4-methoxybenzyl)-D-erythro-pent-4-enitol | C42H54O10

2-O-Benzyl-4,5-dideoxy-2-C-[(1S,2S,5S,6R,7R,8R,9S)-2,7-dihydroxy-6-(methoxymethoxy)-8-methyl-11-oxatricyclo[5.3.1.12,5]dodec-9-yl]-1,3-bis-O-(4-methoxybenzyl)-D-erythro-pent-4-enitol

  • Molecular FormulaC42H54O10
  • Average mass718.872 Da
  • Monoisotopic mass718.371704 Da
  • ChemSpider ID8684471

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-O-Benzyl-4,5-dideoxy-2-C-[(1S,2S,5S,6R,7R,8R,9S)-2,7-dihydroxy-6-(methoxymethoxy)-8-methyl-11-oxatricyclo[5.3.1.12,5]dodec-9-yl]-1,3-bis-O-(4-methoxybenzyl)-D-erythro-pent-4-enitol [ACD/IUPAC Name]
2-O-Benzyl-4,5-didesoxy-2-C-[(1S,2S,5S,6R,7R,8R,9S)-2,7-dihydroxy-6-(methoxymethoxy)-8-methyl-11-oxatricyclo[5.3.1.12,5]dodec-9-yl]-1,3-bis-O-(4-methoxybenzyl)-D-erythro-pent-4-enitol [German] [ACD/IUPAC Name]
2-O-Benzyl-4,5-didésoxy-2-C-[(1S,2S,5S,6R,7R,8R,9S)-2,7-dihydroxy-6-(méthoxyméthoxy)-8-méthyl-11-oxatricyclo[5.3.1.12,5]dodéc-9-yl]-1,3-bis-O-(4-méthoxybenzyl)-D-érythro-pent-4-énitol [French] [ACD/IUPAC Name]
D-erythro-Pent-4-enitol, 4,5-dideoxy-2-C-[(1S,2S,5S,6R,7R,8R,9S)-2,7-dihydroxy-6-(methoxymethoxy)-8-methyl-11-oxatricyclo[5.3.1.12,5]dodec-9-yl]-1,3-bis-O-[(4-methoxyphenyl)methyl]-2-O-(phenylmethyl )- [ACD/Index 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: 788.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.6±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 197.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53337.85
ACD/KOC (pH 5.5): 84177.07
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53336.74
ACD/KOC (pH 7.4): 84175.31
Polar Surface Area: 114 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 582.3±5.0 cm3

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