ChemSpider 2D Image | 3,24-Dioxa-31,33-dithiaheptacyclo[33.2.2.2~26,29~.0~4,13~.0~7,12~.0~14,23~.0~15,20~]hentetraconta-1(37),4(13),5,7,9,11,14(23),15,17,19,21,26,28,35,38,40-hexadecaene | C37H30O2S2

3,24-Dioxa-31,33-dithiaheptacyclo[33.2.2.226,29.04,13.07,12.014,23.015,20]hentetraconta-1(37),4(13),5,7,9,11,14(23),15,17,19,21,26,28,35,38,40-hexadecaene

  • Molecular FormulaC37H30O2S2
  • Average mass570.763 Da
  • Monoisotopic mass570.168701 Da
  • ChemSpider ID9505527

More details:

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

3,24-Dioxa-31,33-dithiaheptacyclo[33.2.2.226,29.04,13.07,12.014,23.015,20]hentetraconta-1(37),4(13),5,7,9,11,14(23),15,17,19,21,26,28,35,38,40-hexadecaen [German] [ACD/IUPAC Name]
3,24-Dioxa-31,33-dithiaheptacyclo[33.2.2.226,29.04,13.07,12.014,23.015,20]hentetraconta-1(37),4(13),5,7,9,11,14(23),15,17,19,21,26,28,35,38,40-hexadecaene [ACD/IUPAC Name]
3,24-Dioxa-31,33-dithiaheptacyclo[33.2.2.226,29.04,13.07,12.014,23.015,20]héntétraconta-1(37),4(13),5,7,9,11,14(23),15,17,19,21,26,28,35,38,40-hexadécaène [French] [ACD/IUPAC Name]
9,12:18,21-Diethenodinaphtho[2,1-b:1',2'-d][1,6,13,15]dioxadithiacycloheneicosin, 8,13,17,22-tetrahydro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 813.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 445.8±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 176.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 11.52
ACD/LogD (pH 5.5): 10.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 69 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 470.1±3.0 cm3

Click to predict properties on the Chemicalize site


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