ChemSpider 2D Image | (10S,15S)-13-(Butylsulfonyl)-19-(3-hydroxypropyl)-24-methoxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.1~3,7~.0~10,15~]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione | C29H39N3O8S

(10S,15S)-13-(Butylsulfonyl)-19-(3-hydroxypropyl)-24-methoxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione

  • Molecular FormulaC29H39N3O8S
  • Average mass589.700 Da
  • Monoisotopic mass589.245789 Da
  • ChemSpider ID62730502

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-13-(Butylsulfonyl)-19-(3-hydroxypropyl)-24-methoxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaen-17,20-dion [German] [ACD/IUPAC Name]
(10S,15S)-13-(Butylsulfonyl)-19-(3-hydroxypropyl)-24-methoxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione [ACD/IUPAC Name]
(10S,15S)-13-(Butylsulfonyl)-19-(3-hydroxypropyl)-24-méthoxy-2,9-dioxa-13,16,19-triazatétracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaène-17,20-dione [French] [ACD/IUPAC Name]
1H,17H-10,6:16,12-Dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloeicosine-2,5-dione, 21-(butylsulfonyl)-3,4,18a,19,20,21,22,22a-octahydro-4-(3-hydroxypropyl)-9-methoxy-, (18aS,22aS)- [ACD/Index Name]
trans-21-(butylsulfonyl)-4-(3-hydroxypropyl)-9-methoxy-3,4,18a,19,20,21,22,22a-octahydro-1H-6,10:12,16-dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloicosine-2,5-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.25
ACD/KOC (pH 5.5): 129.19
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.25
ACD/KOC (pH 7.4): 129.19
Polar Surface Area: 143 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 436.7±5.0 cm3

Click to predict properties on the Chemicalize site


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