Found 154 results

Search term: MF = 'C_{29}H_{40}N_{4}O_{7}'
ChemSpider 2D Image | 4-(Ethoxyimino)-1,2-bis(4-hydroxybutyl)-6-[5-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-2,4,5,6,11b,11c-hexahydrobenzo[kl]xanthene-6a,10(1H)-diol | C29H40N4O7

4-(Ethoxyimino)-1,2-bis(4-hydroxybutyl)-6-[5-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-2,4,5,6,11b,11c-hexahydrobenzo[kl]xanthene-6a,10(1H)-diol

  • Molecular FormulaC29H40N4O7
  • Average mass556.651 Da
  • Monoisotopic mass556.289673 Da
  • ChemSpider ID4279711

More details:

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

4-(Ethoxyimino)-1,2-bis(4-hydroxybutyl)-6-[5-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-2,4,5,6,11b,11c-hexahydrobenzo[kl]xanthen-6a,10(1H)-diol [German] [ACD/IUPAC Name]
4-(Ethoxyimino)-1,2-bis(4-hydroxybutyl)-6-[5-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-2,4,5,6,11b,11c-hexahydrobenzo[kl]xanthene-6a,10(1H)-diol [ACD/IUPAC Name]
4-(Éthoxyimino)-1,2-bis(4-hydroxybutyl)-6-[5-(hydroxyméthyl)-1H-1,2,3-triazol-1-yl]-2,4,5,6,11b,11c-hexahydrobenzo[kl]xanthène-6a,10(1H)-diol [French] [ACD/IUPAC Name]
Benzo[kl]xanthen-4(2H)-one, 1,5,6,6a,11b,11c-hexahydro-6a,10-dihydroxy-1,2-bis(4-hydroxybutyl)-6-[5-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-, O-ethyloxime [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 794.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 434.1±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 144.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.44
ACD/KOC (pH 5.5): 301.74
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.40
ACD/KOC (pH 7.4): 301.16
Polar Surface Area: 163 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 384.9±7.0 cm3

Click to predict properties on the Chemicalize site


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