C38H37N3o8 net tawiisd

produkt

C38H37N3o8 net tawiisd

Basisynformaasje:


Produkt detail

Produkt tags

Fysike eigenskippen

Kaai fysike eigenskippen Wearde Betingst
Molekulêr gewicht 663.72 -
Tichtheid (foarsizze) 1.304 ± 0,06 G / CM3 Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze) 8.27 ± 0.10 Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes o = c1nc (= o) n (c = c1c (= o) ncc = cc = cc = c (cc = c = c = c = c (cc = c (oc) c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = C6)
Isomeryske glimkes
C (oc [c @ h] 1O [c @ h] (c [c @@ h] 1o) n2c = c (c (cc = c = c = c = c = c = c (cv = c = c = c = c = c = c = c = c6 = cc = c 6
Inchi
Inchi = 1s / c38h37n3o8 / c1-46-29-13-13-27 (14-18-29-6-24 (26-11-9-6-26,28-12-26,28-15-19-6 (47-2 38-30) 48-24-33-32 (42) 21-34 (49-33) 4 1-23-31 (36 (44) 40-37 (41) 45) 35 (43) 39-22-25-5-3-3-10-235-,44,42h2,1-21, (H, 39,4,45) (H, 40,44,45) / T32-
, 33 +, 34 + / M0 / S1
Inchi-kaai
Nzbgrvlzisur-lbfzijhgsa-n

Foarsichtich eigenskippen

Eigenskippen beskikber
Biologysk

 

Eigenskippen beskikber
Gemysk
Densheid
Lipinski
Struktuer relatearre

Biologysk

Besit Wearde Betingst Boarne
Bioconcentration Factor 5250 pH 1; Temp: 25 ° C (1) ACD
Bioconcentration Factor 5250 pH 2; Temp: 25 ° C (1) ACD
Bioconcentration Factor 5260 pH 3; Temp: 25 ° C (1) ACD
Bioconcentration Factor 5260 pH 4; Temp: 25 ° C (1) ACD
Bioconcentration Factor 5250 pH 5; Temp: 25 ° C (1) ACD
Bioconcentration Factor 5200 pH 6; Temp: 25 ° C (1) ACD
Bioconcentration Factor 4720 pH 7; Temp: 25 ° C (1) ACD
Bioconcentration Factor 2460 pH 8; Temp: 25 ° C (1) ACD
Bioconcentration Factor 466 pH 9; Temp: 25 ° C (1) ACD
Bioconcentration Factor 96.9 pH 10; Temp: 25 ° C (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

 

Gemysk

Besit Wearde Betingst Boarne
Koc 16000 pH 1; Temp: 25 ° C (1) ACD
Koc 16000 pH 2; Temp: 25 ° C (1) ACD
Koc 16000 pH 3; Temp: 25 ° C (1) ACD
Koc 16000 pH 4; Temp: 25 ° C (1) ACD
Koc 16000 pH 5; Temp: 25 ° C (1) ACD
Koc 15800 pH 6; Temp: 25 ° C (1) ACD
Koc 14400 pH 7; Temp: 25 ° C (1) ACD
Koc 7510 pH 8; Temp: 25 ° C (1) ACD
Koc 1420 pH 9; Temp: 25 ° C (1) ACD
Koc 296 pH 10; Temp: 25 ° C (1) ACD
Logd 5.20 pH 1; Temp: 25 ° C (1) ACD
Logd 5.20 pH 2; Temp: 25 ° C (1) ACD
Logd 5.20 pH 3; Temp: 25 ° C (1) ACD

 

Besit Wearde Betingst Boarne
Logd 5.20 pH 4; Temp: 25 ° C (1) ACD
Logd 5.20 pH 5; Temp: 25 ° C (1) ACD
Logd 5.19 pH 6; Temp: 25 ° C (1) ACD
Logd 5.15 pH 7; Temp: 25 ° C (1) ACD
Logd 4.87 pH 8; Temp: 25 ° C (1) ACD
Logd 4.15 pH 9; Temp: 25 ° C (1) ACD
Logd 3.46 pH 10; Temp: 25 ° C (1) ACD
Logp 5.198 ± 0.644 Temp: 25 ° C (1) ACD
Massa intrinsike oplosmiddel 9.3 x 10-6 g / l Temp: 25 ° C (1) ACD
Massa-oplosberens 9.3 x 10-6 g / l pH 1; Temp: 25 ° C (1) ACD
Massa-oplosberens 9.3 x 10-6 g / l pH 2; Temp: 25 ° C (1) ACD
Massa-oplosberens 9.3 x 10-6 g / l pH 3; Temp: 25 ° C (1) ACD
Massa-oplosberens 9.3 x 10-6 g / l pH 4; Temp: 25 ° C (1) ACD
Massa-oplosberens 9.3 x 10-6 g / l pH 5; Temp: 25 ° C (1) ACD
Massa-oplosberens 9.3 x 10-6 g / l pH 6; Temp: 25 ° C (1) ACD
Massa-oplosberens 1.1 x 10-5 g / l pH 7; Temp: 25 ° C (1) ACD
Massa-oplosberens 2.0 x 10-5 g / l pH 8; Temp: 25 ° C (1) ACD
Massa-oplosberens 1.1 X 10-4 G / L pH 9; Temp: 25 ° C (1) ACD
Massa-oplosberens 5.1 x 10-4 G / L pH 10; Temp: 25 ° C (1) ACD
Massa-oplosberens 1.1 x 10-5 g / l Unbuffered wetter Ph 7.00; Temp: 25 ° C (1) ACD
Molêre yntrinsike oplosmiddel 1,4 x 10-8 Mol / L Temp: 25 ° C (1) ACD
Milarlabiliteit 1,4 x 10-8 Mol / L pH 1; Temp: 25 ° C (1) ACD
Milarlabiliteit 1,4 x 10-8 Mol / L pH 2; Temp: 25 ° C (1) ACD
Milarlabiliteit 1,4 x 10-8 Mol / L pH 3; Temp: 25 ° C (1) ACD
Milarlabiliteit 1,4 x 10-8 Mol / L pH 4; Temp: 25 ° C (1) ACD
Milarlabiliteit 1,4 x 10-8 Mol / L pH 5; Temp: 25 ° C (1) ACD
Milarlabiliteit 1,4 x 10-8 Mol / L pH 6; Temp: 25 ° C (1) ACD
Milarlabiliteit 1.6 x 10-8 mol / l pH 7; Temp: 25 ° C (1) ACD
Milarlabiliteit 3.0 x 10-8 Mol / L pH 8; Temp: 25 ° C (1) ACD
Milarlabiliteit 1.6 x 10-7 Mol / L pH 9; Temp: 25 ° C (1) ACD
Milarlabiliteit 7,7 x 10-7 mol / l pH 10; Temp: 25 ° C (1) ACD
Milarlabiliteit 1.6 x 10-8 mol / l Unbuffered wetter Ph 7.00; Temp: 25 ° C (1) ACD

 

Besit Wearde Betingst Boarne
Molekulêr gewicht 663.72    
pka 8.27 ± 0.10 Meast Acidic Temp: 25 ° C (1) ACD
pka -1.66 ± 0.20 Meast basic temp: 25 ° C (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Densheid

Besit Wearde Betingst Boarne
Densheid 1.304 ± 0,06 G / CM3 Temp: 20 ° C; Parse: 760 Torr (1) ACD
Molar volume 508.6 ± 3.0 cm3 / Mol Temp: 20 ° C; Parse: 760 Torr (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Lipinski

Besit Wearde Betingst Boarne
Frij rotatbere bonnen 13   (1) ACD
H akseptearders 11   (1) ACD
H Donors 3   (1) ACD
H Donor / akseptearje SUM 14   (1) ACD
Logp 5.198 ± 0.644 Temp: 25 ° C (1) ACD
Molekulêr gewicht 663.72    

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Struktuer relatearre

Besit Wearde

Betingst

Boarne
Polar oerflak 136 A2 (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Foarseine spektra

Spectra te krijen
1h nmr
13C NMR


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