C38h49No7 1- Pyrrolindedodedocledocoic acid, 2-Methylm) - (ACI)
Thepa ea bohlokoa ea 'mele | Boleng | Boemo |
Boima ba Molecular | 631.80 | - |
Sekhahla sa ho pheha (se boletsoeng esale pele) | 779.4 ± 60.0 ° C | Tobetsa: 760 Torr |
Mabenyane (a boletsoeng esale pele) | 1.154 ± 0.06 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr |
pka (e boletsoeng esale pele) | 4,78 ± 0.10 | Boholo ba tempele ea acidic: 25 ° C |
Cannonical Smiles O = C (O) CCCCCCCCCCCCCCCCCCCCc (=
Isomeric Smiles c (OC [OC @ H] 1n (C 0)
Inchi
Inchi = 1S / C38h49no7 / c1-44-34-34-34-34-35. 27) 27-39 (32) 36 (41) 16-12-7-4-7-4-13-10 (42) 43 / h9-11,180
Senotlolo sa Inchi
CeyltmdxdxdTxDxDxAddle-jhoussjsa-n
1 Lebitso le leng bakeng sa ntho ena
(2s, 4R) -2 - [[12-BIS (4-Ty-hydmethoexy]
Thepa e fumanehang |
Sa tlhaho |
Lik'hemik'hale |
Letsoalo |
LIPINSSKI |
Sebopeho se amanang le |
Armal |
Sa tlhaho
Thepa | Boleng | Boemo | Mohloli |
Linkho tsa BioCentration | 2.46 x 105 | ph 1; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 2.46 x 105 | ph 2; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 2.42 x 105 | ph 3; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 2.11 x 105 | PH 4; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 92400 | ph 5; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 14000 | PH 6; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1510 | PH 7; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 192 | PH 8; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 58.6 | ph 9; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 45.3 | ph 10; TEMP: 25 ° C | (1) ACD |
.
Lik'hemik'hale
Thepa | Boleng | Boemo | Mohloli |
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 |
logd | 7.40 | ph 1; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
logd | 7.40 | ph 2; TEMP: 25 ° C | (1) ACD |
logd | 7.39 | ph 3; TEMP: 25 ° C | (1) ACD |
logd | 7.33 | PH 4; TEMP: 25 ° C | (1) ACD |
logd | 6.97 | ph 5; TEMP: 25 ° C | (1) ACD |
logd | 6.15 | PH 6; TEMP: 25 ° C | (1) ACD |
logd | 5.19 | PH 7; TEMP: 25 ° C | (1) ACD |
logd | 4.29 | PH 8; TEMP: 25 ° C | (1) ACD |
logd | 3.77 | ph 9; TEMP: 25 ° C | (1) ACD |
logd | 3.66 | ph 10; TEMP: 25 ° C | (1) ACD |
Logp | 7.397 ± 0.598 | TEMP: 25 ° C | (1) ACD |
Mass Interrincic solubility | 1.3 x 10-4 g / l | TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.3 x 10-4 g / l | ph 1; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.3 x 10-4 g / l | ph 2; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.3 x 10-4 g / l | ph 3; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.5 x 10-4 g / l | PH 4; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 3.5 x 10-4 g / l | ph 5; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 2.3 x 10-3 g / l | PH 6; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.021 g / l | PH 7; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.17 g / l | PH 8; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.55 g / l | ph 9; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.69 g / l | ph 10; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.3 x 10-3 g / l | Ph ea metsi e sa sebetsoeng ph 5.73; TEMP: 25 ° C | (1) ACD |
Molala oa Molala oa Molala | 2.1 x 10-7 Mol / L | TEMP: 25 ° C | (1) ACD |
Molala ea lla | 2.1 x 10-7 Mol / L | ph 1; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 2.1 x 10-7 Mol / L | ph 2; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 2.1 x 10-7 Mol / L | ph 3; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 2.4 x 10-7 Mol / L | PH 4; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 5.5 x 10-7 Mol / L | ph 5; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.6 x 10-6 mol / L | PH 6; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.4 x 10-5 mol / l | PH 7; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 2.7 x 10-4 mol / l | PH 8; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 8.7 x 10-4 mol / l | ph 9; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Molala ea lla | 1.1 x 10-3 mol / L | ph 10; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 2.1 x 10-6 mol / L | Ph ea metsi e sa sebetsoeng ph 5.73; TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 631.80 | ||
pka | 4,78 ± 0.10 | Boholo ba tempele ea acidic: 25 ° C | (1) ACD |
pka | -2.31 ± 0.60 | Boholo ba mosebetsi oa mantlha: 25 ° C | (1) ACD |
Khatello ea mouoane | 1.42 x 10-25 Torr | TEMP: 25 ° C | (1) ACD |
.
Letsoalo
Thepa | Boleng | Boemo | Mohloli |
Letsoalo | 1.154 ± 0.06 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molalar | 547.3 ± 3.0 cm3 / mol | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
.
LIPINSSKI
Thepa | Boleng | Boemo | Mohloli |
Li-litlama tse potolohileng ka bolokolohi | 20 | (1) ACD | |
H | 8 | (1) ACD | |
H donors | 2 | (1) ACD | |
H donor / Canot | 10 | (1) ACD | |
Logp | 7.397 ± 0.598 | TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 631.80 |
.
Sebopeho se amanang le
Thepa | Boleng | Boemo | Mohloli |
Sebaka sa polar. | 106 A2 | (1) ACD |
.
Armal
Thepa | Boleng | Boemo | Mohloli |
Poleft Point | 779.4 ± 60.0 ° C | Tobetsa: 760 Torr | (1) ACD |
Entatpy ea vaporization | 118.97 ± 3.0 KJ / Mol | Tobetsa: 760 Torr | (1) ACD |
Flash point | 425.2 ± 32,9 ° C | (1) ACD |
.
Spectra e fumanehang
1h nmr
13c nmr
Ngola molaetsa oa hau mona 'me u e romelle ho rona