ChemSpider 2D Image | CSID:8616201 | C39H54N10O13S

  • Molecular FormulaC39H54N10O13S
  • Average mass902.970 Da
  • Monoisotopic mass902.359253 Da
  • ChemSpider ID8616201

More details:

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

2-[34-sec-Butyl-13-(3,4-dihydroxy-2-butanyl)-8,22-dihydroxy-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19, 21,23-tetraen-4-yl]acetamid [German] [ACD/IUPAC Name]
2-[34-sec-Butyl-13-(3,4-dihydroxy-2-butanyl)-8,22-dihydroxy-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19, 21,23-tétraén-4-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1560.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 254.0±3.0 kJ/mol
Flash Point: 897.4±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 223.7±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -7.41
ACD/LogD (pH 5.5): -6.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 389 Å2
Polarizability: 88.7±0.5 10-24cm3
Surface Tension: 91.5±5.0 dyne/cm
Molar Volume: 588.7±5.0 cm3

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