C42H39N3O8 Akanikwanga

imveliso

C42H39N3O8 Akanikwanga

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iimpawu ezibonakalayo

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 713.78 -
Ukuxinana (Kuqikelelwe) 1.315±0.06 g/cm3 Ubushushu: 20 °C; Cinezela: 760 Torr
pKa (Kuxelwe kwangaphambili) 8.23±0.10 Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC )C=C6)C7=CC=C(OC)C=C7)C(O)C4
Isomeric UNCUMA
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C (=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
InChi
InChI=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5 -13-29,31-17-21-33(51-2)22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43-24-28-11-8-10-27-9-6-7-14-34(27)28/ h3-22,25,36-38,46H,23-24,26H2,1-2H3,(H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
Isitshixo se-InchI
HDUMRQQRYJOBFS-YXWIYCFSA-N

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji

 

Iipropati ezikhoyo
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo oluNxulumeneyo

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 41700 pH 1; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 41700 pH 2; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 41700 pH 3; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 41700 pH 4; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 41700 pH 5; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 41200 pH 6; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 36900 pH 7; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 18100 pH 8; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3290 pH 9; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 718 pH 10; Ubushushu: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ikhemikhali

Ipropati Ixabiso Imeko Umthombo
Koc 70600 pH 1; Ubushushu: 25 °C (1) ACD
Koc 70600 pH 2; Ubushushu: 25 °C (1) ACD
Koc 70600 pH 3; Ubushushu: 25 °C (1) ACD
Koc 70600 pH 4; Ubushushu: 25 °C (1) ACD
Koc 70500 pH 5; Ubushushu: 25 °C (1) ACD
Koc 69700 pH 6; Ubushushu: 25 °C (1) ACD
Koc 62400 pH 7; Ubushushu: 25 °C (1) ACD
Koc 30600 pH 8; Ubushushu: 25 °C (1) ACD
Koc 5560 pH 9; Ubushushu: 25 °C (1) ACD
Koc 1210 pH 10; Ubushushu: 25 °C (1) ACD
logD 6.38 pH 1; Ubushushu: 25 °C (1) ACD
logD 6.38 pH 2; Ubushushu: 25 °C (1) ACD
logD 6.38 pH 3; Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
logD 6.38 pH 4; Ubushushu: 25 °C (1) ACD
logD 6.38 pH 5; Ubushushu: 25 °C (1) ACD
logD 6.38 pH 6; Ubushushu: 25 °C (1) ACD
logD 6.33 pH 7; Ubushushu: 25 °C (1) ACD
logD 6.02 pH 8; Ubushushu: 25 °C (1) ACD
logD 5.28 pH 9; Ubushushu: 25 °C (1) ACD
logD 4.62 pH 10; Ubushushu: 25 °C (1) ACD
logP 6.382±0.644 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 5.1 x 10-7 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.1 x 10-7 g/L pH 1; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.1 x 10-7 g/L pH 2; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.1 x 10-7 g/L pH 3; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.1 x 10-7 g/L pH 4; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.1 x 10-7 g/L pH 5; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.1 x 10-7 g/L pH 6; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.7 x 10-7 g/L pH 7; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.1 x 10-6 g/L pH 8; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 6.4 x 10-6 g/L pH 9; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.9 x 10-5 g/L pH 10; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.7 x 10-7 g/L Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 7.1 x 10-10 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 7.1 x 10-10 mol/L pH 1; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 7.1 x 10-10 mol/L pH 2; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 7.1 x 10-10 mol/L pH 3; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 7.1 x 10-10 mol/L pH 4; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 7.1 x 10-10 mol/L pH 5; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 7.2 x 10-10 mol/L pH 6; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 8.0 x 10-10 mol/L pH 7; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.6 x 10-9 mol/L pH 8; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 9.0 x 10-9 mol/L pH 9; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 4.1 x 10-8 mol/L pH 10; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 8.0 x 10-10 mol/L Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ubunzima beMolekyuli 713.78    
pKa 8.23±0.10 Eyona Temp iAcidic Temp: 25 °C (1) ACD
pKa -1.90±0.20 Eyona Tempile iSiseko: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ukuxinana

Ipropati Ixabiso Imeko Umthombo
Ukuxinana 1.315±0.06 g/cm3 Ubushushu: 20 °C; Cinezela: 760 Torr (1) ACD
Umthamo weMolar 542.7±3.0 cm3/mol Ubushushu: 20 °C; Cinezela: 760 Torr (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ipropati Ixabiso Imeko Umthombo
Iibhondi eziGuquguqukayo ngokukhululekileyo 13   (1) ACD
H Abamkeli 11   (1) ACD
H Abaxhasi 3   (1) ACD
H Umnikeli/uMamkeli Isambuku 14   (1) ACD
logP 6.382±0.644 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 713.78    

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso

Imeko

Umthombo
Indawo yePolar Surface 136 A2 (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

ISpectra eqikelelweyo

ISpectra ekhoyo
1H NMR
13C NMR


  • Ngaphambili:
  • Okulandelayo:

  • Bhala umyalezo wakho apha kwaye uwuthumele kuthi