Found 34 results

Search term: MF = 'C_{44}H_{58}N_{4}O_{12}'
ChemSpider 2D Image | 6a-(Allyloxy)-1,2-bis(4-hydroxybutyl)-6-{[2-(2-hydroxyethoxy)ethyl][3-(4-nitrophenyl)acryloyl]amino}-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate | C44H58N4O12

6a-(Allyloxy)-1,2-bis(4-hydroxybutyl)-6-{[2-(2-hydroxyethoxy)ethyl][3-(4-nitrophenyl)acryloyl]amino}-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate

  • Molecular FormulaC44H58N4O12
  • Average mass834.951 Da
  • Monoisotopic mass834.405151 Da
  • ChemSpider ID2595807

More details:

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

6a-(Allyloxy)-1,2-bis(4-hydroxybutyl)-6-{[2-(2-hydroxyethoxy)ethyl][3-(4-nitrophenyl)acryloyl]amino}-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl ethylcarbamate [ACD/IUPAC Name]
6a-(Allyloxy)-1,2-bis(4-hydroxybutyl)-6-{[2-(2-hydroxyethoxy)ethyl][3-(4-nitrophenyl)acryloyl]amino}-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-10-yl-ethylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-ethyl-, 1,2,4,5,6,6a,11b,11c-octahydro-1,2-bis(4-hydroxybutyl)-6-[[2-(2-hydroxyethoxy)ethyl][3-(4-nitrophenyl)-1-oxo-2-propen-1-yl]amino]-4-(methoxyimino)-6a-(2-propen-1-yloxy)benzo[k l]xanthen-10-yl ester [ACD/Index Name]
Éthylcarbamate de 6a-(allyloxy)-1,2-bis(4-hydroxybutyl)-6-{[2-(2-hydroxyéthoxy)éthyl][3-(4-nitrophényl)acryloyl]amino}-4-(méthoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-10-yle [French] [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: 1.598
Molar Refractivity: 219.5±0.5 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6035.70
ACD/KOC (pH 5.5): 17694.43
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6035.66
ACD/KOC (pH 7.4): 17694.29
Polar Surface Area: 214 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 643.1±7.0 cm3

Click to predict properties on the Chemicalize site


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