ChemSpider 2D Image | (10R,15S)-24-(Cyclopropylmethoxy)-13-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-2,9-dioxa-13,16,20-triazatetracyclo[20.3.1.1~3,7~.0~10,15~]heptacosa-1(26),3(27),4,6,22,24-hexaene-17,21-dione | C31H38N6O5

(10R,15S)-24-(Cyclopropylmethoxy)-13-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-2,9-dioxa-13,16,20-triazatetracyclo[20.3.1.13,7.010,15]heptacosa-1(26),3(27),4,6,22,24-hexaene-17,21-dione

  • Molecular FormulaC31H38N6O5
  • Average mass574.671 Da
  • Monoisotopic mass574.290344 Da
  • ChemSpider ID62733170

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,15S)-24-(Cyclopropylmethoxy)-13-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-2,9-dioxa-13,16,20-triazatetracyclo[20.3.1.13,7.010,15]heptacosa-1(26),3(27),4,6,22,24-hexaen-17,21-dion [German] [ACD/IUPAC Name]
(10R,15S)-24-(Cyclopropylmethoxy)-13-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-2,9-dioxa-13,16,20-triazatetracyclo[20.3.1.13,7.010,15]heptacosa-1(26),3(27),4,6,22,24-hexaene-17,21-dione [ACD/IUPAC Name]
(10R,15S)-24-(Cyclopropylméthoxy)-13-[(5-éthyl-1H-1,2,4-triazol-3-yl)méthyl]-2,9-dioxa-13,16,20-triazatétracyclo[20.3.1.13,7.010,15]heptacosa-1(26),3(27),4,6,22,24-hexaène-17,21-dione [French] [ACD/IUPAC Name]
11,7:17,13-Dimetheno-18H-pyrido[4,3-b][1,15,4,8]dioxadiazacycloheneicosine-2,6(1H,3H)-dione, 9-(cyclopropylmethoxy)-22-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-4,5,19a,20,21,22,23,23a-octahydro-, (19aR ,23aS)- [ACD/Index Name]
cis-9-(cyclopropylmethoxy)-22-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-4,5,19a,20,21,22,23,23a-octahydro-7,11:13,17-dimethenopyrido[4,3-b][1,15,4,8]dioxadiazacyclohenicosine-2,6(1H,3H)-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: 1.581
Molar Refractivity: 154.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.50
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 28.46
ACD/KOC (pH 7.4): 291.16
Polar Surface Area: 131 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 465.1±3.0 cm3

Click to predict properties on the Chemicalize site


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