ChemSpider 2D Image | (1R)-1,5-Anhydro-2,3-dideoxy-1-[2-({(E)-[4-(6,7-dimethyl-3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-2-butanylidene]amino}oxy)ethyl]-4-O-(4-methoxyphenyl)-6-O-(propylcarbamoyl)-D-erythro-hex-2-enitol | C33H46N4O6

(1R)-1,5-Anhydro-2,3-dideoxy-1-[2-({(E)-[4-(6,7-dimethyl-3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-2-butanylidene]amino}oxy)ethyl]-4-O-(4-methoxyphenyl)-6-O-(propylcarbamoyl)-D-erythro-hex-2-enitol

  • Molecular FormulaC33H46N4O6
  • Average mass594.742 Da
  • Monoisotopic mass594.341736 Da
  • ChemSpider ID7834016

  • 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

(1R)-1,5-Anhydro-2,3-dideoxy-1-[2-({(E)-[4-(6,7-dimethyl-3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-2-butanylidene]amino}oxy)ethyl]-4-O-(4-methoxyphenyl)-6-O-(propylcarbamoyl)-D-erythro-hex-2-enitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,3-didesoxy-1-[2-({(E)-[4-(6,7-dimethyl-3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-2-butanyliden]amino}oxy)ethyl]-4-O-(4-methoxyphenyl)-6-O-(propylcarbamoyl)-D-erythro-hex-2-enitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,3-didésoxy-1-[2-({(E)-[4-(6,7-diméthyl-3,4-dihydro-1,5-naphtyridin-1(2H)-yl)-2-butanylidène]amino}oxy)éthyl]-4-O-(4-méthoxyphényl)-6-O-(propylcarbamoyl)-D-érythro-hex-2-énitol [French] [ACD/IUPAC Name]
D-arabino-Oct-4-enitol, 3,7-anhydro-2,4,5-trideoxy-1-O-[[(1E)-3-(3,4-dihydro-6,7-dimethyl-1,5-naphthyridin-1(2H)-yl)-1-methylpropylidene]amino]-6-O-(4-methoxyphenyl)-, 8-(propylcarbamate) [ACD/Index Name]
CMLDBU00002158

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 164.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 86.57
ACD/KOC (pH 5.5): 223.10
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 3088.25
ACD/KOC (pH 7.4): 7959.25
Polar Surface Area: 104 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 499.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement