C38H3H37N3O3ʻaʻole i kauʻia
| ʻO nā waiwai pilikino | Waiwai | Kauoha |
| Kaupaona molebular | 663.72 | - |
| Density (wānana) | 1.304 ± 0.06 g / cm3 | Temp: 20 ° C; E kaomi: 760 Torr |
| PKA (wānana) | 8.27 ± 0.10 | Nui loa acidic temp: 25 ° C |
Canonical smiles o = c1nc (= o) n (c = cc = cc = c6) c (c6) c (c6) c (c6) c (c6) c
Nā meaʻakaʻakaʻo Isomeric
C (OC [C @ H] T @) n *
Iachi
Inchi = 1s / c38h37n3o3o3_25-,28-25-3-24-,3-32 (42-34-28 1-23-31 (36 (44) 40-37 (41)
, 33 +, 34, 20 / m0 / S1
Inchi kī
Nzbgrvlziskur-lbfzjhgsa-n
| Loaʻa nā waiwai |
| Loea |
| Loaʻa nā waiwai |
| Kekau |
| Huakai |
| Lipinski |
| Pili pū ka piliʻana |
Loea
| Waiwai | Waiwai | Kauoha | Kumu |
| Pūnaehana Pūnaewele | 5250 | pH 1; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 5250 | PH 2; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 5260 | pH 3; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 5260 | PH 4; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 5250 | pH 5; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 5200 | ph 6; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 4720 | ph 7; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 2460 | pH 8; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 466 | pH 9; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 96.9 | PH 10; Temp: 25 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Kekau
| Waiwai | Waiwai | Kauoha | Kumu |
| 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 |
| Kākau | 5.20 | pH 1; Temp: 25 ° C | (1) acd |
| Kākau | 5.20 | PH 2; Temp: 25 ° C | (1) acd |
| Kākau | 5.20 | pH 3; Temp: 25 ° C | (1) acd |
| Waiwai | Waiwai | Kauoha | Kumu |
| Kākau | 5.20 | PH 4; Temp: 25 ° C | (1) acd |
| Kākau | 5.20 | pH 5; Temp: 25 ° C | (1) acd |
| Kākau | 5.19 | ph 6; Temp: 25 ° C | (1) acd |
| Kākau | 5.15 | ph 7; Temp: 25 ° C | (1) acd |
| Kākau | 4.87 | pH 8; Temp: 25 ° C | (1) acd |
| Kākau | 4.15 | pH 9; Temp: 25 ° C | (1) acd |
| Kākau | 3.46 | PH 10; Temp: 25 ° C | (1) acd |
| LOGP | 5.198 ± 0.644 | Temp: 25 ° C | (1) acd |
| ʻO ka solubilitic intrinsic | 9.3 x 10-6 g / l | Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 9.3 x 10-6 g / l | pH 1; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 9.3 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 9.3 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 9.3 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 9.3 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 9.3 x 10-6 g / l | ph 6; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 1.1 x 10-5 g / l | ph 7; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 2.0 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 1.1 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 5.1 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 1.1 x 10-5 g / l | Work worm ph 7.00; Temp: 25 ° C | (1) acd |
| Molala intrinsic repubility | 1.4 x 10-8 mol / l | Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.4 x 10-8 mol / l | pH 1; Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.4 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.4 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.4 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.4 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.4 x 10-8 mol / l | ph 6; Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.6 x 10-8 mol / l | ph 7; Temp: 25 ° C | (1) acd |
| Mlagerliility | 3.0 x 10-8 mol / l | pH 8; Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.6 x 10-7 mol / l | pH 9; Temp: 25 ° C | (1) acd |
| Mlagerliility | 7.7 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.6 x 10-8 mol / l | Work worm ph 7.00; Temp: 25 ° C | (1) acd |
| Waiwai | Waiwai | Kauoha | Kumu |
| Kaupaona molebular | 663.72 | ||
| pka | 8.27 ± 0.10 | Nui loa acidic temp: 25 ° C | (1) acd |
| pka | -1.66 ± 0.20 | ʻO ka hapa nui o ka temp: 25 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Huakai
| Waiwai | Waiwai | Kauoha | Kumu |
| Huakai | 1.304 ± 0.06 g / cm3 | Temp: 20 ° C; E kaomi: 760 Torr | (1) acd |
| Mlar lang | 508.6 ± 3.0 cm3 / mol | Temp: 20 ° C; E kaomi: 760 Torr | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Lipinski
| Waiwai | Waiwai | Kauoha | Kumu |
| Nā mea paʻa paʻa | 13 | (1) acd | |
| Hcceptors | 11 | (1) acd | |
| H donors | 3 | (1) acd | |
| H hāʻawi /ʻaeʻia ka loaʻa kālā | 14 | (1) acd | |
| LOGP | 5.198 ± 0.644 | Temp: 25 ° C | (1) acd |
| Kaupaona molebular | 663.72 |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Pili pū ka piliʻana
| Waiwai | Waiwai | Kauoha | Kumu |
| Wahi wahi papa | 136 a2 | (1) acd | |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Specpe i Loa
1H NMR
13c nmr
Kākau i kāu leka uila maʻaneʻi a hoʻouna iā mākou
