ChemSpider 2D Image | (11R,17S)-17-(4-Hydroxybenzyl)-18,23-dioxo-1,6,10,22-tetraazatricyclo[9.7.6.1~12,16~]pentacosa-12(25),13,15-trien-15-yl acetate | C30H40N4O5

(11R,17S)-17-(4-Hydroxybenzyl)-18,23-dioxo-1,6,10,22-tetraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl acetate

  • Molecular FormulaC30H40N4O5
  • Average mass536.662 Da
  • Monoisotopic mass536.299866 Da
  • ChemSpider ID144082

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(11R,17S)-17-(4-Hydroxybenzyl)-18,23-dioxo-1,6,10,22-tetraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl acetate [ACD/IUPAC Name]
(11R,17S)-17-(4-Hydroxybenzyl)-18,23-dioxo-1,6,10,22-tetraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl-acetat [German] [ACD/IUPAC Name]
1,6,10,22-Tetraazatricyclo[9.7.6.112,16]pentacosa-12,14,16(25)-triene-18,23-dione, 15-(acetyloxy)-17-[(4-hydroxyphenyl)methyl]-, (11R,17S)- [ACD/Index Name]
Acétate de (11R,17S)-17-(4-hydroxybenzyl)-18,23-dioxo-1,6,10,22-tétraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trién-15-yle [French] [ACD/IUPAC Name]
1,6,10,22-Tetraazatricyclo(9.7.6.112,16)pentacosa-12(25),13,15-triene-18,23-dione, 15-(acetyloxy)-17-((4-hydroxyphenyl)methyl)-, (11R-(11R*,17S*))-
133084-04-5 [RN]
Schweinine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 778.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 424.9±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 427.5±5.0 cm3

Click to predict properties on the Chemicalize site


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