ChemSpider 2D Image | (4S,8S)-19-Methoxy-6-(6-methoxyhexanoyl)-9,17-dioxa-3,6,12,13,14-pentaazatetracyclo[16.3.1.1~11,14~.0~4,8~]tricosa-1(22),11(23),12,18,20-pentaen-2-one | C24H33N5O6

(4S,8S)-19-Methoxy-6-(6-methoxyhexanoyl)-9,17-dioxa-3,6,12,13,14-pentaazatetracyclo[16.3.1.111,14.04,8]tricosa-1(22),11(23),12,18,20-pentaen-2-one

  • Molecular FormulaC24H33N5O6
  • Average mass487.549 Da
  • Monoisotopic mass487.243073 Da
  • ChemSpider ID62729395
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4S,8S)-19-Methoxy-6-(6-methoxyhexanoyl)-9,17-dioxa-3,6,12,13,14-pentaazatetracyclo[16.3.1.111,14.04,8]tricosa-1(22),11(23),12,18,20-pentaen-2-on [German] [ACD/IUPAC Name]
(4S,8S)-19-Methoxy-6-(6-methoxyhexanoyl)-9,17-dioxa-3,6,12,13,14-pentaazatetracyclo[16.3.1.111,14.04,8]tricosa-1(22),11(23),12,18,20-pentaen-2-one [ACD/IUPAC Name]
(4S,8S)-19-Méthoxy-6-(6-méthoxyhexanoyl)-9,17-dioxa-3,6,12,13,14-pentaazatétracyclo[16.3.1.111,14.04,8]tricosa-1(22),11(23),12,18,20-pentaén-2-one [French] [ACD/IUPAC Name]
15H-6,3:10,14-Dimetheno-2H-pyrrolo[3,4-j][1,9,4,5,6,12]dioxatetraazacyclooctadecin-15-one, 7,8,16,16a,17,18,19,19a-octahydro-11-methoxy-18-(6-methoxy-1-oxohexyl)-, (16aS,19aS)- [ACD/Index Name]
trans-11-methoxy-18-(6-methoxyhexanoyl)-7,8,16,16a,17,18,19,19a-octahydro-15H-6,3:14,10-dimethenopyrrolo[3,4-j][1,9,4,5,6,12]dioxatetraazacyclooctadecin-15-one

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 126.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.55
ACD/KOC (pH 5.5): 67.96
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.55
ACD/KOC (pH 7.4): 67.96
Polar Surface Area: 117 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 358.9±7.0 cm3

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