ChemSpider 2D Image | (5R)-2,4-Dideoxy-3,5-O-isopropylidene-5-C-{[(4R,6R)-6-{[(4S,6S)-6-{[(4R,6R)-6-{(1E,3S,4S)-4-[(4-methoxybenzyl)oxy]-3,5-dimethyl-1-hexen-1-yl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-2,2-dimethyl-1,3-diox an-4-yl]methyl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-4-methyl-D-erythro-pentitol | C46H76O11

(5R)-2,4-Dideoxy-3,5-O-isopropylidene-5-C-{[(4R,6R)-6-{[(4S,6S)-6-{[(4R,6R)-6-{(1E,3S,4S)-4-[(4-methoxybenzyl)oxy]-3,5-dimethyl-1-hexen-1-yl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-2,2-dimethyl-1,3-diox an-4-yl]methyl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-4-methyl-D-erythro-pentitol

  • Molecular FormulaC46H76O11
  • Average mass805.089 Da
  • Monoisotopic mass804.538757 Da
  • ChemSpider ID9620602

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5R)-2,4-Dideoxy-3,5-O-isopropylidene-5-C-{[(4R,6R)-6-{[(4S,6S)-6-{[(4R,6R)-6-{(1E,3S,4S)-4-[(4-methoxybenzyl)oxy]-3,5-dimethyl-1-hexen-1-yl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-2,2-dimethyl-1,3-diox an-4-yl]methyl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-4-methyl-D-erythro-pentitol [ACD/IUPAC Name]
(5R)-2,4-Didesoxy-3,5-O-isopropyliden-5-C-{[(4R,6R)-6-{[(4S,6S)-6-{[(4R,6R)-6-{(1E,3S,4S)-4-[(4-methoxybenzyl)oxy]-3,5-dimethyl-1-hexen-1-yl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-2,2-dimethyl-1,3-diox an-4-yl]methyl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-4-methyl-D-erythro-pentitol [German] [ACD/IUPAC Name]
(5R)-2,4-Didésoxy-3,5-O-isopropylidène-5-C-{[(4R,6R)-6-{[(4S,6S)-6-{[(4R,6R)-6-{(1E,3S,4S)-4-[(4-méthoxybenzyl)oxy]-3,5-diméthyl-1-hexén-1-yl}-2,2-diméthyl-1,3-dioxan-4-yl]méthyl}-2,2-diméthyl-1,3-dio xan-4-yl]méthyl}-2,2-diméthyl-1,3-dioxan-4-yl]méthyl}-4-méthyl-D-érythro-pentitol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 777.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 423.9±32.9 °C
Index of Refraction: 1.493
Molar Refractivity: 223.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42416.74
ACD/KOC (pH 5.5): 71445.41
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42416.74
ACD/KOC (pH 7.4): 71445.41
Polar Surface Area: 113 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 770.9±3.0 cm3

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