ChemSpider 2D Image | (1R)-4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-1-[(2E)-2-{[(1S)-1-{1-[(2S)-1-hydroxy-3-phenyl-2-propanyl]-1H-1,2,3-triazol-4-yl}ethoxy]imino}ethyl]-D-erythro-hex-2-enitol | C25H32N4O7

(1R)-4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-1-[(2E)-2-{[(1S)-1-{1-[(2S)-1-hydroxy-3-phenyl-2-propanyl]-1H-1,2,3-triazol-4-yl}ethoxy]imino}ethyl]-D-erythro-hex-2-enitol

  • Molecular FormulaC25H32N4O7
  • Average mass500.544 Da
  • Monoisotopic mass500.227112 Da
  • ChemSpider ID7833996

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-1-[(2E)-2-{[(1S)-1-{1-[(2S)-1-hydroxy-3-phenyl-2-propanyl]-1H-1,2,3-triazol-4-yl}ethoxy]imino}ethyl]-D-erythro-hex-2-enitol [ACD/IUPAC Name]
(1R)-4,6-Di-O-acetyl-1,5-anhydro-2,3-didesoxy-1-[(2E)-2-{[(1S)-1-{1-[(2S)-1-hydroxy-3-phenyl-2-propanyl]-1H-1,2,3-triazol-4-yl}ethoxy]imino}ethyl]-D-erythro-hex-2-enitol [German] [ACD/IUPAC Name]
(1R)-4,6-Di-O-acétyl-1,5-anhydro-2,3-didésoxy-1-[(2E)-2-{[(1S)-1-{1-[(2S)-1-hydroxy-3-phényl-2-propanyl]-1H-1,2,3-triazol-4-yl}éthoxy]imino}éthyl]-D-érythro-hex-2-énitol [French] [ACD/IUPAC Name]
CMLDBU00002140

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.4±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.53
ACD/KOC (pH 5.5): 373.47
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.53
ACD/KOC (pH 7.4): 373.48
Polar Surface Area: 134 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 389.1±7.0 cm3

Click to predict properties on the Chemicalize site


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