ChemSpider 2D Image | (10S,15S)-25-Methoxy-13-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,9-dioxa-13,16,21-triazatetracyclo[21.3.1.1~3,7~.0~10,15~]octacosa-1(27),3(28),4,6,23,25-hexaene-17,22-dione | C35H37N5O7

(10S,15S)-25-Methoxy-13-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,9-dioxa-13,16,21-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaene-17,22-dione

  • Molecular FormulaC35H37N5O7
  • Average mass639.698 Da
  • Monoisotopic mass639.269287 Da
  • ChemSpider ID62731499

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-25-Methoxy-13-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,9-dioxa-13,16,21-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaen-17,22-dion [German] [ACD/IUPAC Name]
(10S,15S)-25-Methoxy-13-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,9-dioxa-13,16,21-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaene-17,22-dione [ACD/IUPAC Name]
(10S,15S)-25-Méthoxy-13-[3-(3-phényl-1,2,4-oxadiazol-5-yl)propanoyl]-2,9-dioxa-13,16,21-triazatétracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaène-17,22-dione [French] [ACD/IUPAC Name]
1H,19H-8,12:18,14-Dimethenopyrido[4,3-b][1,16,4,9]dioxadiazacyclodocosine-2,7-dione, 3,4,5,6,20a,21,22,23,24,24a-decahydro-10-methoxy-23-[1-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-, (20aS,24aS)- [ACD/Index Name]
trans-10-methoxy-23-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,5,6,20a,21,22,23,24,24a-decahydro-1H-8,12:14,18-dimethenopyrido[4,3-b][1,16,4,9]dioxadiazacyclodocosine-2,7-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 169.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.56
ACD/KOC (pH 5.5): 1260.14
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.56
ACD/KOC (pH 7.4): 1260.15
Polar Surface Area: 145 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 520.6±3.0 cm3

Click to predict properties on the Chemicalize site


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