ChemSpider 2D Image | (1R,4R)-4-[(2S,3R)-4-Azido-2,3-dimethylbutyl]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-{4-[(4-methoxybenzyl)oxy]butanoyl}-2-cyclohexen-1-yl acetate | C31H45N3O7

(1R,4R)-4-[(2S,3R)-4-Azido-2,3-dimethylbutyl]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-{4-[(4-methoxybenzyl)oxy]butanoyl}-2-cyclohexen-1-yl acetate

  • Molecular FormulaC31H45N3O7
  • Average mass571.705 Da
  • Monoisotopic mass571.325745 Da
  • ChemSpider ID9540068

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,4R)-4-[(2S,3R)-4-Azido-2,3-dimethylbutyl]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-{4-[(4-methoxybenzyl)oxy]butanoyl}-2-cyclohexen-1-yl acetate [ACD/IUPAC Name]
(1R,4R)-4-[(2S,3R)-4-Azido-2,3-dimethylbutyl]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-{4-[(4-methoxybenzyl)oxy]butanoyl}-2-cyclohexen-1-yl-acetat [German] [ACD/IUPAC Name]
1-Butanone, 1-[(1R,4R)-4-(acetyloxy)-1-[(2S,3R)-4-azido-2,3-dimethylbutyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-cyclohexen-1-yl]-4-[(4-methoxyphenyl)methoxy]- [ACD/Index Name]
Acétate de (1R,4R)-4-[(2S,3R)-4-azido-2,3-diméthylbutyl]-1-[(4S)-2,2-diméthyl-1,3-dioxolan-4-yl]-4-{4-[(4-méthoxybenzyl)oxy]butanoyl}-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 8992.19
ACD/KOC (pH 5.5): 23537.84
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 8992.19
ACD/KOC (pH 7.4): 23537.84
Polar Surface Area: 93 Å2
Polarizability:
Surface Tension:
Molar Volume:

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