ChemSpider 2D Image | (3S,7S)-12-(Cyclopropylmethoxy)-5-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.1~10,14~.0~3,7~]pentacosa-1(22),10(25),11,13,20,23-hexaene-9,17-dione | C30H35N5O6

(3S,7S)-12-(Cyclopropylmethoxy)-5-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(22),10(25),11,13,20,23-hexaene-9,17-dione

  • Molecular FormulaC30H35N5O6
  • Average mass561.629 Da
  • Monoisotopic mass561.258728 Da
  • ChemSpider ID71269690

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,7S)-12-(Cyclopropylmethoxy)-5-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(22),10(25),11,13,20,23-hexaen-9,17-dion [German] [ACD/IUPAC Name]
(3S,7S)-12-(Cyclopropylmethoxy)-5-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(22),10(25),11,13,20,23-hexaene-9,17-dione [ACD/IUPAC Name]
(3S,7S)-12-(Cyclopropylméthoxy)-5-[(5-isopropyl-1,3,4-oxadiazol-2-yl)méthyl]-2,15-dioxa-5,8,18-triazatétracyclo[18.2.2.110,14.03,7]pentacosa-1(22),10(25),11,13,20,23-hexaène-9,17-dione [French] [ACD/IUPAC Name]
16H-2,5-Etheno-11,15-methenopyrrolo[3,4-k][1,10,4,13]dioxadiazacyclononadecine-8,16(9H)-dione, 13-(cyclopropylmethoxy)-6,7,17,17a,18,19,20,20a-octahydro-19-[[5-(1-methylethyl)-1,3,4-oxadiazol-2-yl]met hyl]-, (17aS,20aS)- [ACD/Index Name]
rel-(3S,7S)-12-(cyclopropylmethoxy)-5-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(22),10(25),11,13,20,23-hexaene-9,17-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: 1.571
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.74
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 9.70
ACD/KOC (pH 7.4): 156.80
Polar Surface Area: 128 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 451.3±3.0 cm3

Click to predict properties on the Chemicalize site


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