ChemSpider 2D Image | (2S,3E,5R,6R,7E,9R)-5-(Benzyloxy)-9-[(2S,3S,4S,5S)-3-(benzyloxy)-5-methoxy-4-methyltetrahydro-2-furanyl]-9-(methoxymethoxy)-2,6,8-trimethyl-3,7-nonadien-1-ol | C34H48O7

(2S,3E,5R,6R,7E,9R)-5-(Benzyloxy)-9-[(2S,3S,4S,5S)-3-(benzyloxy)-5-methoxy-4-methyltetrahydro-2-furanyl]-9-(methoxymethoxy)-2,6,8-trimethyl-3,7-nonadien-1-ol

  • Molecular FormulaC34H48O7
  • Average mass568.741 Da
  • Monoisotopic mass568.340027 Da
  • ChemSpider ID9906158

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3E,5R,6R,7E,9R)-5-(Benzyloxy)-9-[(2S,3S,4S,5S)-3-(benzyloxy)-5-methoxy-4-methyltetrahydro-2-furanyl]-9-(methoxymethoxy)-2,6,8-trimethyl-3,7-nonadien-1-ol [ACD/IUPAC Name]
(2S,3E,5R,6R,7E,9R)-5-(Benzyloxy)-9-[(2S,3S,4S,5S)-3-(benzyloxy)-5-methoxy-4-methyltetrahydro-2-furanyl]-9-(methoxymethoxy)-2,6,8-trimethyl-3,7-nonadien-1-ol [German] [ACD/IUPAC Name]
(2S,3E,5R,6R,7E,9R)-5-(Benzyloxy)-9-[(2S,3S,4S,5S)-3-(benzyloxy)-5-méthoxy-4-méthyltétrahydro-2-furanyl]-9-(méthoxyméthoxy)-2,6,8-triméthyl-3,7-nonadién-1-ol [French] [ACD/IUPAC Name]
α-D-altro-Heptofuranoside, methyl 2,6,7-trideoxy-6-[(2R,3R,4E,6S)-7-hydroxy-2,6-dimethyl-3-(phenylmethoxy)-4-hepten-1-ylidene]-5-O-(methoxymethyl)-2-methyl-3-O-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.0±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12301.57
ACD/KOC (pH 5.5): 29456.59
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12301.57
ACD/KOC (pH 7.4): 29456.59
Polar Surface Area: 76 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 513.0±5.0 cm3

Click to predict properties on the Chemicalize site


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