ChemSpider 2D Image | nostocyclamide M | C20H22N6O4S3

nostocyclamide M

  • Molecular FormulaC20H22N6O4S3
  • Average mass506.621 Da
  • Monoisotopic mass506.086456 Da
  • ChemSpider ID10263511

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,18R)-4,7-Dimethyl-18-[2-(methylsulfanyl)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaen-2,9,16-trion [German] [ACD/IUPAC Name]
(4S,18R)-4,7-Dimethyl-18-[2-(methylsulfanyl)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione [ACD/IUPAC Name]
(4S,18R)-4,7-Diméthyl-18-[2-(méthylsulfanyl)éthyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatétracyclo[17.2.1.15,8.112,15]tétracosa-1(21),5(24),7,12(23),14,19(22)-hexaène-2,9,16-trione [French] [ACD/IUPAC Name]
6-Oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),7,12(23),14,19(22),21-hexaene-2,9,16-trione, 4,7-dimethyl-18-[2-(methylthio)ethyl]-, (4S,18R)- [ACD/Index Name]
nostocyclamide M

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

Density: 1.3±0.1 g/cm3
Boiling Point: 928.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 515.5±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.29
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.29
Polar Surface Area: 221 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 378.9±3.0 cm3

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