Har yanzu ba a sanya C38H37N3O8 ba

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Har yanzu ba a sanya C38H37N3O8 ba

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Kaddarorin jiki

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 663.72 -
Girma (An annabta) 1.304± 0.06 g/cm3 Zazzabi: 20 ° C;Latsa: 760 Torr
pKa (An annabta) 8.27± 0.10 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
MURMUSHI
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InChi
InChi=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-) 2)20-16-28)48-24-33-32 (42)21-34 (49-33)4 1-23-31 (36(44)40-37(41)45)35(43)39 -22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40) ,44,45)/t32-
,33+,34+/m0/s1
InChi Key
NZBGRVLZISPURB-LBFZIJHGSA-N

Abubuwan Hasashen

Properties akwai
Halittu

 

Properties akwai
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 5250 pH da 1;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 5250 pH da 2;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 5260 pH da 3;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 5260 pH da 4;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 5250 pH da 5;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 5200 pH da 6;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 4720 pH da 7;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2460 pH da 8;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 466 pH da 9;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 96.9 pH 10;Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

 

Chemical

Dukiya Daraja Sharadi Source
Koc 16000 pH da 1;Zazzabi: 25 ° C (1) ACD
Koc 16000 pH da 2;Zazzabi: 25 ° C (1) ACD
Koc 16000 pH da 3;Zazzabi: 25 ° C (1) ACD
Koc 16000 pH da 4;Zazzabi: 25 ° C (1) ACD
Koc 16000 pH da 5;Zazzabi: 25 ° C (1) ACD
Koc 15800 pH da 6;Zazzabi: 25 ° C (1) ACD
Koc 14400 pH da 7;Zazzabi: 25 ° C (1) ACD
Koc 7510 pH da 8;Zazzabi: 25 ° C (1) ACD
Koc 1420 pH da 9;Zazzabi: 25 ° C (1) ACD
Koc 296 pH 10;Zazzabi: 25 ° C (1) ACD
logD 5.20 pH da 1;Zazzabi: 25 ° C (1) ACD
logD 5.20 pH da 2;Zazzabi: 25 ° C (1) ACD
logD 5.20 pH da 3;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
logD 5.20 pH da 4;Zazzabi: 25 ° C (1) ACD
logD 5.20 pH da 5;Zazzabi: 25 ° C (1) ACD
logD 5.19 pH da 6;Zazzabi: 25 ° C (1) ACD
logD 5.15 pH da 7;Zazzabi: 25 ° C (1) ACD
logD 4.87 pH da 8;Zazzabi: 25 ° C (1) ACD
logD 4.15 pH da 9;Zazzabi: 25 ° C (1) ACD
logD 3.46 pH 10;Zazzabi: 25 ° C (1) ACD
logP 5.198± 0.644 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 9.3 x 10-6 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.3 x 10-6 g/L pH da 1;Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.3 x 10-6 g/L pH da 2;Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.3 x 10-6 g/L pH da 3;Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.3 x 10-6 g/L pH da 4;Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.3 x 10-6 g/L pH da 5;Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.3 x 10-6 g/L pH da 6;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.1 x 10-5 g/L pH da 7;Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.0 x 10-5 g/L pH da 8;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.1 x 10-4 g/L pH da 9;Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.1 x 10-4 g/L pH 10;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.1 x 10-5 g/L Ruwan da ba a buguwa pH 7.00;Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 1.4 x 10-8 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-8 mol/L pH da 1;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-8 mol/L pH da 2;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-8 mol/L pH da 3;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-8 mol/L pH da 4;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-8 mol/L pH da 5;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-8 mol/L pH da 6;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.6 x 10-8 mol/L pH da 7;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.0 x 10-8 mol/L pH da 8;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.6 x 10-7 mol/L pH da 9;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 7.7 x 10-7 mol/L pH 10;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.6 x 10-8 mol/L Ruwan da ba a buguwa pH 7.00;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Nauyin Kwayoyin Halitta 663.72    
pKa 8.27± 0.10 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa -1.66±0.20 Mafi Asalin Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Yawan yawa

Dukiya Daraja Sharadi Source
Yawan yawa 1.304± 0.06 g/cm3 Zazzabi: 20 ° C;Latsa: 760 Torr (1) ACD
Ƙarar Molar 508.6± 3.0 cm3/mol Zazzabi: 20 ° C;Latsa: 760 Torr (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Dukiya Daraja Sharadi Source
Ƙimar Rarraba Kyauta 13   (1) ACD
H Masu karɓa 11   (1) ACD
H Masu Ba da taimako 3   (1) ACD
H Donor/Acceptor Sum 14   (1) ACD
logP 5.198± 0.644 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 663.72    

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Tsarin Yanayi

Dukiya Daraja

Sharadi

Source
Wuri Mai Girma 136 A2 (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra da aka annabta

Spectra akwai
1H NMR
13C NMR


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