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Search term: 27024257 (Found by CSID)
ChemSpider 2D Image | (2S,8E,12E,14E,20S,23S)-20-Isopropyl-17-(2-methoxypropyl)-8,10,15,21-tetramethyl-18-oxa-25-thia-6,21,26-triazatricyclo[21.2.1.0~2,6~]hexacosa-1(26),8,12,14-tetraene-7,19,22-trione | C32H49N3O5S

(2S,8E,12E,14E,20S,23S)-20-Isopropyl-17-(2-methoxypropyl)-8,10,15,21-tetramethyl-18-oxa-25-thia-6,21,26-triazatricyclo[21.2.1.02,6]hexacosa-1(26),8,12,14-tetraene-7,19,22-trione

  • Molecular FormulaC32H49N3O5S
  • Average mass587.814 Da
  • Monoisotopic mass587.339294 Da
  • ChemSpider ID27024257

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 6 defined stereocentres

More details:

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(2S,8E,12E,14E,20S,23S)-20-Isopropyl-17-(2-methoxypropyl)-8,10,15,21-tetramethyl-18-oxa-25-thia-6,21,26-triazatricyclo[21.2.1.02,6]hexacosa-1(26),8,12,14-tetraen-7,19,22-trion [German] [ACD/IUPAC Name]
(2S,8E,12E,14E,20S,23S)-20-Isopropyl-17-(2-methoxypropyl)-8,10,15,21-tetramethyl-18-oxa-25-thia-6,21,26-triazatricyclo[21.2.1.02,6]hexacosa-1(26),8,12,14-tetraene-7,19,22-trione [ACD/IUPAC Name]
(2S,8E,12E,14E,20S,23S)-20-Isopropyl-17-(2-méthoxypropyl)-8,10,15,21-tétraméthyl-18-oxa-25-thia-6,21,26-triazatricyclo[21.2.1.02,6]hexacosa-1(26),8,12,14-tétraène-7,19,22-trione [French] [ACD/IUPAC Name]
4,1-Nitrilo-1H,10H-pyrrolo[2,1-j][1,8,4,11]oxathiadiazacyclodocosine-5,8,20(11H)-trione, 3,4,6,7,16,17,22,23,24,24a-decahydro-10-(2-methoxypropyl)-6,12,17,19-tetramethyl-7-(1-methylethyl)-, (4S,7S,12E ,14E,18E,24aS)- [ACD/Index Name]
alotamide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 763.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.4±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 165.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1422.92
ACD/KOC (pH 5.5): 6288.38
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1424.11
ACD/KOC (pH 7.4): 6293.67
Polar Surface Area: 114 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 500.0±7.0 cm3

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