![C20H31NO5 Heptanoic acid, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
C20H31NO5 Heptanoic acid, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat molekular | 365.46 | - |
| Titik ngagolak (diprediksi) | 504.1 ± 50.0 ° C | Pencét: 760 Torr |
| Kapadetan (diprediksi) | 1.091 ± 0,06 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
| Pair (diprediksi) | 11.82 ± 0,46 | TEMP anu paling asam: 25 ° C |
Kanonical imut o = c (gaduh = 1C = cc = cc1) nc (c (o) cc (c) c) cc (c) cc (c) cc (c) cc (c) cc (c) cc (c) cc (c) cc (c) cc (c) cc (c) cc (c) cc (c) c
Isomicyery [c @ h] ([c @@
Atchi
Inchi = 1s / c2H31no5 / c1-6-14 (2) 18 (16 (22) 12-17 (2,4-12.14,9-17,18,12,12.16,12,12,16,12,12,16,12,14,2-17,14,7-14-14,12,2-148 H3, (H, 21,24) / T14-, 16 +, 18- / m0 / s1
Konci inci
Aztsbawaspoliq-lescradosa-n
| Sipat sayogi |
| Biologis |
| Kimia |
| Perténaran |
| Lipinski |
| Struktur patali |
| Theresalia |
Biologis
| Harta | Nilai | Kaayaan | Sumber |
| Faktor bioconcation | 616 | pH 1; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 617 | pH 2; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 617 | pH 3; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 617 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 617 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 617 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 617 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 617 | pH 8; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 616 | pH 9; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 604 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Kimia
| Harta | Nilai | Kaayaan | Sumber |
| Kub | 3450 | pH 1; Temp: 25 ° C | (1) ACD |
| Kub | 3460 | pH 2; Temp: 25 ° C | (1) ACD |
| Kub | 3460 | pH 3; Temp: 25 ° C | (1) ACD |
| Kub | 3460 | pH 4; Temp: 25 ° C | (1) ACD |
| Kub | 3460 | pH 5; Temp: 25 ° C | (1) ACD |
| Kub | 3460 | pH 6; Temp: 25 ° C | (1) ACD |
| Kub | 3460 | pH 7; Temp: 25 ° C | (1) ACD |
| Kub | 3460 | pH 8; Temp: 25 ° C | (1) ACD |
| Kub | 3450 | pH 9; Temp: 25 ° C | (1) ACD |
| Kub | 3390 | pH 10; Temp: 25 ° C | (1) ACD |
| log As | 3.97 | pH 1; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| log As | 3.97 | pH 2; Temp: 25 ° C | (1) ACD |
| log As | 3.97 | pH 3; Temp: 25 ° C | (1) ACD |
| log As | 3.97 | pH 4; Temp: 25 ° C | (1) ACD |
| log As | 3.97 | pH 5; Temp: 25 ° C | (1) ACD |
| log As | 3.97 | pH 6; Temp: 25 ° C | (1) ACD |
| log As | 3.97 | pH 7; Temp: 25 ° C | (1) ACD |
| log As | 3.97 | pH 8; Temp: 25 ° C | (1) ACD |
| log As | 3.97 | pH 9; Temp: 25 ° C | (1) ACD |
| log As | 3.96 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 3.974 ± 0.543 | Temp: 25 ° C | (1) ACD |
| Kebar intrinsik massic | 0,062 g / l | Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,062 g / l | Cai pH 6,99; Temp: 25 ° C | (1) ACD |
| Kebar intrinsik molar | 1,7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,7 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,7 x 10-4 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,7 x 10-4 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,7 x 10-4 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,7 x 10-4 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,7 x 10-4 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,7 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,7 x 10-4 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,7 x 10-4 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kahirupan molar | 1,7 x 10-4 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,7 x 10-4 mol / l | Cai pH 6,99; Temp: 25 ° C | (1) ACD |
| Beurat molekular | 365.46 | ||
| Pka | 11.82 ± 0,46 | TEMP anu paling asam: 25 ° C | (1) ACD |
| Pka | -1.56 ± 0,70 | Paling dasar temp: 25 ° C | (1) ACD |
| Tekenan uap | 5.56 x 10-11 torr | Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Perténaran
| Harta | Nilai | Kaayaan | Sumber |
| Perténaran | 1.091 ± 0,06 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
| Masar | 334.7 ± 3.0 cm3 / mol | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Lipinski
| Harta | Nilai | Kaayaan | Sumber |
| Beungkeut bébas rotét | 12 | (1) ACD | |
| H panarima | 6 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H donor / panarima | 8 | (1) ACD | |
| logp | 3.974 ± 0.543 | Temp: 25 ° C | (1) ACD |
| Beurat molekular | 365.46 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
| Harta | Nilai | Kaayaan | Sumber |
| Daérah permukaan polar | 84.9 A2 | (1) ACD | |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Theresalia
| Harta | Nilai | Kaayaan | Sumber |
| Titik anu ngagolak | 504.1 ± 50.0 ° C | Pencét: 760 Torr | (1) ACD |
| Enthalpy tina vaporisasi | 81.44 ± 3.0 kJ / mol | Pencét: 760 Torr | (1) ACD |
| Titik kaingetan | 258.6 ± 30.1 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
13c nmr
| Kode | Pernyataan Bahaya | Sumber |
| H301 | Toksik upami ditelek | Badan kimia Éropa (echa) klasifikasi & digambarkeun 9ering inventaris, klasiifikasi pangabutuh sareng bewara kimia Éropa, ocheling - paling penting |
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