![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI) Kiʻi Hōʻikeʻike](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 601.69 | - |
| Lae paila (Wanamua) | 914.2±65.0 °C | Paʻi: 760 Torr |
| ʻAiʻa (Wanamua) | 1.276±0.06 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr |
| pKa (Wanamua) | 10.63±0.46 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)NC(C(=O)NC4=CC=C(C=C4)CO)CCCNC(=O )N)C(C)C
Isomeric SMILES C(OC(N[C@H](C(N[C@H](C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O)=O)[ C@H](C)C)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11- 26(24)27)31(41)37-28(12-7-17-35- 32(34)42)30(40)36-22-15-13-21(18-39)14-16- 22/h3-6,8-11,13-16,20,27-29,39H,7,12,17-19H2,1-2H3,(H,36,40)(H,37,41)(H ,38,43)(H3,34,3
5,42)/t28-,29-/m0/s1
InChI Ki
DALMAZHDNFCDRP-VMPREFPWSA-N
1 inoa ʻē aʻe no kēia mea
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI)
Loaʻa ka Spectra
1H NMR
13C NMR
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
| Māmā |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 809 | pH 1; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 912 | pH 2; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 923 | pH 3; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 924 | pH 4; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 924 | pH 5; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 924 | pH 6; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 924 | pH 7; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 922 | pH 8; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 903 | pH 9; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 750 | pH 10; Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kemika
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 4040 | pH 1; Mahana: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Mahana: 25 °C | (1) ACD |
| Koc | 4610 | pH 3; Mahana: 25 °C | (1) ACD |
| Koc | 4620 | pH 4; Mahana: 25 °C | (1) ACD |
| Koc | 4620 | pH 5; Mahana: 25 °C | (1) ACD |
| Koc | 4620 | pH 6; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 4620 | pH 7; Mahana: 25 °C | (1) ACD |
| Koc | 4610 | pH 8; Mahana: 25 °C | (1) ACD |
| Koc | 4510 | pH 9; Mahana: 25 °C | (1) ACD |
| Koc | 3740 | pH 10; Mahana: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Mahana: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Mahana: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Mahana: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Mahana: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Mahana: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Mahana: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Mahana: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Mahana: 25 °C | (1) ACD |
| logD | 4.19 | pH 9; Mahana: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Mahana: 25 °C | (1) ACD |
| logP | 4.206±0.767 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 1.7 x 10-4 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.0 x 10-4 g/L | pH 1; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.7 x 10-4 g/L | pH 2; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.7 x 10-4 g/L | pH 3; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.7 x 10-4 g/L | pH 4; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.7 x 10-4 g/L | pH 5; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.7 x 10-4 g/L | pH 6; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.7 x 10-4 g/L | pH 7; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.7 x 10-4 g/L | pH 8; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.7 x 10-4 g/L | pH 9; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.1 x 10-4 g/L | pH 10; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.7 x 10-4 g/L | Wai hoʻopaʻa ʻole pH 7.00; Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 2.9 x 10-7 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.3 x 10-7 mol/L | pH 1; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.9 x 10-7 mol/L | pH 2; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.9 x 10-7 mol/L | pH 3; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.9 x 10-7 mol/L | pH 4; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 2.9 x 10-7 mol/L | pH 5; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.9 x 10-7 mol/L | pH 6; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.9 x 10-7 mol/L | pH 7; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.9 x 10-7 mol/L | pH 8; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.9 x 10-7 mol/L | pH 9; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.5 x 10-7 mol/L | pH 10; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.9 x 10-7 mol/L | Wai hoʻopaʻa ʻole pH 7.00; Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 601.69 | ||
| pKa | 10.63±0.46 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | 0.13±0.50 | ʻO ka mahana kumu loa: 25 °C | (1) ACD |
| ʻO ke kaomi mahu | 0 Torr | Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
ʻO ka mānoanoa
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ka mānoanoa | 1.276±0.06 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 471.2±3.0 knm3/mol | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Waiwai | Waiwai | Kūlana | Puna |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 15 | (1) ACD | |
| H Ka poe e ae | 11 | (1) ACD | |
| H Kokua | 7 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 18 | (1) ACD | |
| logP | 4.206±0.767 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 601.69 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Hoʻonohonoho pili
| Waiwai | Waiwai | Kūlana | Puna |
| Wahi Polar | 172 A2 | (1) ACD | |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Lae paila | 914.2±65.0 °C | Paʻi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 139.25±3.0 kJ/mol | Paʻi: 760 Torr | (1) ACD |
| Lae Flash | 506.7±34.3 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1H NMR
13C NMR
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