ChemSpider 2D Image | 3-Buten-1-yl [6a-(allyloxy)-10-[(benzylcarbamoyl)oxy]-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrobenzyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl][2-(2-hydroxyethoxy)ethyl]carbamate | C51H64N4O13

3-Buten-1-yl [6a-(allyloxy)-10-[(benzylcarbamoyl)oxy]-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrobenzyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl][2-(2-hydroxyethoxy)ethyl]carbamate

  • Molecular FormulaC51H64N4O13
  • Average mass941.073 Da
  • Monoisotopic mass940.446960 Da
  • ChemSpider ID4321987

More details:

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

[6a-(Allyloxy)-10-[(benzylcarbamoyl)oxy]-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrobenzyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-6-yl][2-(2-hydroxyéthoxy)éthyl]carbamate de 3-butén-1-yle [French] [ACD/IUPAC Name]
3-Buten-1-yl [6a-(allyloxy)-10-[(benzylcarbamoyl)oxy]-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrobenzyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl][2-(2-hydroxyethoxy)ethyl]carbamate [ACD/IUPAC Name]
3-Buten-1-yl-[6a-(allyloxy)-10-[(benzylcarbamoyl)oxy]-1,2-bis(4-hydroxybutyl)-4-{[(4-nitrobenzyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl][2-(2-hydroxyethoxy)ethyl]carbamat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 250.8±0.5 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 7.85
ACD/BCF (pH 5.5): 547708.19
ACD/KOC (pH 5.5): 445886.94
ACD/LogD (pH 7.4): 7.85
ACD/BCF (pH 7.4): 547702.75
ACD/KOC (pH 7.4): 445882.53
Polar Surface Area: 224 Å2
Polarizability: 99.4±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 733.8±7.0 cm3

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