C38h49NO7 1
ʻO nā waiwai pilikino | Waiwai | Kauoha |
Kaupaona molebular | 631.80 | - |
Ka hanaʻana (wānana) | 779.4 ± 60.0 ° C | E kaomi: 760 Torr |
Density (wānana) | 1.154 ер 0,06 G / cm3 | Temp: 20 ° C; E kaomi: 760 Torr |
PKA (wānana) | 4.78 ± 0.10 | Nui loa acidic temp: 25 ° C |
Canonical smiles o = c (o) cccccccccc (= o) n1c = cc = c (cc = c4
Isomeric minsules c (oc [ch] (c (o) (c2 = cc = cc = cc = c4
Iachi
Inchi = 1s / c38h49no7 / c1-34-22-24-35-20-33-28-29-33 36(41)16-12-7-5-3-4-6-8-13-17-37(42)43/h9-11,14-15,18-25,32-33,40H,3-8,12-13,16-17,26-28H2,1-2H3,(H,42,43)/t32-,33+/m0/s1
Inchi kī
Ceyltmdxadbebelbelbel-jhoousysjsa-n
1 inoa inoa no kēia mea
(2s, 4r) -2 - [bis (4-Methonyxyphony
Loaʻa nā waiwai |
Loea |
Kekau |
Huakai |
Lipinski |
Pili pū ka piliʻana |
Thermal |
Loea
Waiwai | Waiwai | Kauoha | Kumu |
Pūnaehana Pūnaewele | 2.46 x 105 | pH 1; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 2.46 x 105 | PH 2; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 2.42 x 105 | pH 3; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 2.11 x 105 | PH 4; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 92400 | pH 5; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 14000 | ph 6; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1510 | ph 7; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 192 | pH 8; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 58.6 | pH 9; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 453 | 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 | 2.52 x 105 | pH 1; Temp: 25 ° C | (1) acd |
Koc | 2.51 x 105 | PH 2; Temp: 25 ° C | (1) acd |
Koc | 2.47 x 105 | pH 3; Temp: 25 ° C | (1) acd |
Koc | 2.16 x 105 | PH 4; Temp: 25 ° C | (1) acd |
Koc | 94500 | pH 5; Temp: 25 ° C | (1) acd |
Koc | 14300 | ph 6; Temp: 25 ° C | (1) acd |
Koc | 1550 | ph 7; Temp: 25 ° C | (1) acd |
Koc | 196 | pH 8; Temp: 25 ° C | (1) acd |
Koc | 59.9 | pH 9; Temp: 25 ° C | (1) acd |
Koc | 46.3 | PH 10; Temp: 25 ° C | (1) acd |
Kākau | 7.40 | pH 1; Temp: 25 ° C | (1) acd |
Waiwai | Waiwai | Kauoha | Kumu |
Kākau | 7.40 | PH 2; Temp: 25 ° C | (1) acd |
Kākau | 3.39 | pH 3; Temp: 25 ° C | (1) acd |
Kākau | Keam33 | PH 4; Temp: 25 ° C | (1) acd |
Kākau | 6.97 | pH 5; Temp: 25 ° C | (1) acd |
Kākau | 6.15 | ph 6; Temp: 25 ° C | (1) acd |
Kākau | 5.19 | ph 7; Temp: 25 ° C | (1) acd |
Kākau | 4.29 | pH 8; Temp: 25 ° C | (1) acd |
Kākau | 3.77 | pH 9; Temp: 25 ° C | (1) acd |
Kākau | 3.66 | PH 10; Temp: 25 ° C | (1) acd |
LOGP | 7.397 ± 0.598 | Temp: 25 ° C | (1) acd |
ʻO ka solubilitic intrinsic | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1.3 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1.3 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1.3 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1.5 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 3.5 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 2.3 x 10-3 g / l | ph 6; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 0,021 g / l | ph 7; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 0.17 g / l | pH 8; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 0,55 g / l | pH 9; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 0.69 g / l | PH 10; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1.3 x 10-3 g / l | HONBIFEED HOP PH 5.3; Temp: 25 ° C | (1) acd |
Molala intrinsic repubility | 2.1 x 10-7 mol / l | Temp: 25 ° C | (1) acd |
Mlagerliility | 2.1 x 10-7 mol / l | pH 1; Temp: 25 ° C | (1) acd |
Mlagerliility | 2.1 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) acd |
Mlagerliility | 2.1 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) acd |
Mlagerliility | 2.4 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) acd |
Mlagerliility | 5.5 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) acd |
Mlagerliility | 3.6 x 10-6 mol / l | ph 6; Temp: 25 ° C | (1) acd |
Mlagerliility | 3.4 x 10-5 mol / l | ph 7; Temp: 25 ° C | (1) acd |
Mlagerliility | 2.7 x 10-4 mol / l | pH 8; Temp: 25 ° C | (1) acd |
Mlagerliility | 8.7 x 10-4 mol / l | pH 9; Temp: 25 ° C | (1) acd |
Waiwai | Waiwai | Kauoha | Kumu |
Mlagerliility | 1.1 x 10-3 mol / l | PH 10; Temp: 25 ° C | (1) acd |
Mlagerliility | 2.1 x 10-6 mol / l | HONBIFEED HOP PH 5.3; Temp: 25 ° C | (1) acd |
Kaupaona molebular | 631.80 | ||
pka | 4.78 ± 0.10 | Nui loa acidic temp: 25 ° C | (1) acd |
pka | -2.31 ± 0.60 | ʻO ka hapa nui o ka temp: 25 ° C | (1) acd |
Ke kaomi kino | 1.42 x 10-25 Torr | Temp: 25 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Huakai
Waiwai | Waiwai | Kauoha | Kumu |
Huakai | 1.154 ер 0,06 G / cm3 | Temp: 20 ° C; E kaomi: 760 Torr | (1) acd |
Mlar lang | 547.3 ± 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 | 20 | (1) acd | |
Hcceptors | 8 | (1) acd | |
H donors | 2 | (1) acd | |
H hāʻawi /ʻaeʻia ka loaʻa kālā | 10 | (1) acd | |
LOGP | 7.397 ± 0.598 | Temp: 25 ° C | (1) acd |
Kaupaona molebular | 631.80 |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Pili pū ka piliʻana
Waiwai | Waiwai | Kauoha | Kumu |
Wahi wahi papa | 106 A2 | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Thermal
Waiwai | Waiwai | Kauoha | Kumu |
Makaʻikua | 779.4 ± 60.0 ° C | E kaomi: 760 Torr | (1) acd |
E komo i ka Vaporization | 118.97 ± 3.0 kj / mol | E kaomi: 760 Torr | (1) acd |
Polout Flall | 425.2 ± 32.9 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Specpe i Loa
1H NMR
13c nmr