ChemSpider 2D Image | (4S,8S)-6-[(2-Amino-3-pyridinyl)methyl]-20-chloro-9,18-dioxa-3,6,12,13,14-pentaazatetracyclo[17.3.1.1~11,14~.0~4,8~]tetracosa-1(23),11(24),12,19,21-pentaen-2-one | C23H26ClN7O3

(4S,8S)-6-[(2-Amino-3-pyridinyl)methyl]-20-chloro-9,18-dioxa-3,6,12,13,14-pentaazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-2-one

  • Molecular FormulaC23H26ClN7O3
  • Average mass483.951 Da
  • Monoisotopic mass483.178558 Da
  • ChemSpider ID62721411

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,8S)-6-[(2-Amino-3-pyridinyl)methyl]-20-chlor-9,18-dioxa-3,6,12,13,14-pentaazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-2-on [German] [ACD/IUPAC Name]
(4S,8S)-6-[(2-Amino-3-pyridinyl)methyl]-20-chloro-9,18-dioxa-3,6,12,13,14-pentaazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-2-one [ACD/IUPAC Name]
(4S,8S)-6-[(2-Amino-3-pyridinyl)méthyl]-20-chloro-9,18-dioxa-3,6,12,13,14-pentaazatétracyclo[17.3.1.111,14.04,8]tétracosa-1(23),11(24),12,19,21-pentaén-2-one [French] [ACD/IUPAC Name]
2H,7H,16H-6,3:11,15-Dimethenopyrrolo[3,4-r]-1,10,4,5,6,17-dioxatetraazacyclononadecin-16-one, 19-[(2-amino-3-pyridinyl)methyl]-12-chloro-8,9,17,17a,18,19,20,20a-octahydro-, (17aS,20aS)- [ACD/Index Name]
trans-19-[(2-aminopyridin-3-yl)methyl]-12-chloro-8,9,17,17a,18,19,20,20a-octahydro-7H,16H-6,3:15,11-dimethenopyrrolo[3,4-r][1,10,4,5,6,17]dioxatetraazacyclononadecin-16-one

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.728
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.67
Polar Surface Area: 120 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 316.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement