ChemSpider 2D Image | (10R,15S)-24-(Cyclopropylmethoxy)-13-[(3,6-dimethyl[1,2]oxazolo[5,4-b]pyridin-4-yl)carbonyl]-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-di one | C35H37N5O7

(10R,15S)-24-(Cyclopropylmethoxy)-13-[(3,6-dimethyl[1,2]oxazolo[5,4-b]pyridin-4-yl)carbonyl]-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-di one

  • Molecular FormulaC35H37N5O7
  • Average mass639.698 Da
  • Monoisotopic mass639.269287 Da
  • ChemSpider ID62722207

  • 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-[(3,6-dimethyl[1,2]oxazolo[5,4-b]pyridin-4-yl)carbonyl]-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-dio 
n [German] [ACD/IUPAC Name]
(10R,15S)-24-(Cyclopropylmethoxy)-13-[(3,6-dimethyl[1,2]oxazolo[5,4-b]pyridin-4-yl)carbonyl]-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-di 
one [ACD/IUPAC Name]
(10R,15S)-24-(Cyclopropylméthoxy)-13-[(3,6-diméthyl[1,2]oxazolo[5,4-b]pyridin-4-yl)carbonyl]-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-di 
one [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-[(3,6-dimethylisoxazolo[5,4-b]pyridin-4-yl)carbonyl]-4,5,19a,20,21,22,23,23a-octa hydro-, (19aR,23aS)- [ACD/Index Name]
cis-9-(cyclopropylmethoxy)-22-[(3,6-dimethylisoxazolo[5,4-b]pyridin-4-yl)carbonyl]-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: 1.3±0.1 g/cm3
Boiling Point: 958.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 533.5±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 171.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.82
ACD/KOC (pH 5.5): 537.74
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.82
ACD/KOC (pH 7.4): 537.76
Polar Surface Area: 145 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 502.1±3.0 cm3

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