ChemSpider 2D Image | (5R)-2,4-Dideoxy-1-[3-formyl-5-isobutyl-2,4-bis(methoxymethoxy)phenyl]-3,5-O-isopropylidene-5-C-{(2E)-1-[(4-methoxybenzyl)oxy]-2-penten-2-yl}-2-propyl-D-threo-pentose | C39H56O10

(5R)-2,4-Dideoxy-1-[3-formyl-5-isobutyl-2,4-bis(methoxymethoxy)phenyl]-3,5-O-isopropylidene-5-C-{(2E)-1-[(4-methoxybenzyl)oxy]-2-penten-2-yl}-2-propyl-D-threo-pentose

  • Molecular FormulaC39H56O10
  • Average mass684.856 Da
  • Monoisotopic mass684.387329 Da
  • ChemSpider ID17242428

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R)-2,4-Dideoxy-1-[3-formyl-5-isobutyl-2,4-bis(methoxymethoxy)phenyl]-3,5-O-isopropylidene-5-C-{(2E)-1-[(4-methoxybenzyl)oxy]-2-penten-2-yl}-2-propyl-D-threo-pentose [ACD/IUPAC Name]
(5R)-2,4-Didesoxy-1-[3-formyl-5-isobutyl-2,4-bis(methoxymethoxy)phenyl]-3,5-O-isopropyliden-5-C-{(2E)-1-[(4-methoxybenzyl)oxy]-2-penten-2-yl}-2-propyl-D-threo-pentose [German] [ACD/IUPAC Name]
(5R)-2,4-Didésoxy-1-[3-formyl-5-isobutyl-2,4-bis(méthoxyméthoxy)phényl]-3,5-O-isopropylidène-5-C-{(2E)-1-[(4-méthoxybenzyl)oxy]-2-pentén-2-yl}-2-propyl-D-thréo-pentose [French] [ACD/IUPAC Name]
L-xylo-Heptose, 2,4,6-trideoxy-1-[3-formyl-2,4-bis(methoxymethoxy)-5-(2-methylpropyl)phenyl]-7-O-[(4-methoxyphenyl)methyl]-3,5-O-(1-methylethylidene)-2-propyl-6-propylidene- [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: 749.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 187.4±27.0 °C
Index of Refraction: 1.521
Molar Refractivity: 191.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 7.42
ACD/BCF (pH 5.5): 256270.47
ACD/KOC (pH 5.5): 258893.55
ACD/LogD (pH 7.4): 7.42
ACD/BCF (pH 7.4): 256270.47
ACD/KOC (pH 7.4): 258893.55
Polar Surface Area: 108 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 627.7±3.0 cm3

Click to predict properties on the Chemicalize site


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