Found 6 results

Search term: MF = 'C_{41}H_{48}O_{9}'
ChemSpider 2D Image | (1S)-1-C-{(2R)-5-[(Benzyloxy)methoxy]-7,10-bis[(2E)-2-buten-1-yloxy]-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl}-3,4-O-1,1-cyclopentanediyl-5-deoxy-1-O-methyl-D-xylulose | C41H48O9

(1S)-1-C-{(2R)-5-[(Benzyloxy)methoxy]-7,10-bis[(2E)-2-buten-1-yloxy]-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl}-3,4-O-1,1-cyclopentanediyl-5-deoxy-1-O-methyl-D-xylulose

  • Molecular FormulaC41H48O9
  • Average mass684.814 Da
  • Monoisotopic mass684.329834 Da
  • ChemSpider ID9160502

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1-C-{(2R)-5-[(Benzyloxy)methoxy]-7,10-bis[(2E)-2-buten-1-yloxy]-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl}-3,4-O-1,1-cyclopentanediyl-5-deoxy-1-O-methyl-D-xylulose [ACD/IUPAC Name]
(1S)-1-C-{(2R)-5-[(Benzyloxy)méthoxy]-7,10-bis[(2E)-2-butén-1-yloxy]-4-oxo-1,2,3,4-tétrahydro-2-anthracényl}-3,4-O-1,1-cyclopentanediyl-5-désoxy-1-O-méthyl-D-xylulose [French] [ACD/IUPAC Name]
D-threo-2-Pentulose, 1-C-[(2R)-7,10-bis[(2E)-2-buten-1-yloxy]-1,2,3,4-tetrahydro-4-oxo-5-[(phenylmethoxy)methoxy]-2-anthracenyl]-3,4-O-cyclopentylidene-5-deoxy-1-O-methyl-, (1S)- [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: 818.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 329.8±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 190.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.32
ACD/LogD (pH 5.5): 7.13
ACD/BCF (pH 5.5): 155113.98
ACD/KOC (pH 5.5): 180736.05
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 155113.98
ACD/KOC (pH 7.4): 180736.05
Polar Surface Area: 99 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 554.4±5.0 cm3

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