C20h2No4 1-pyrrolidinecarboxylic acid, 4-hydroxy-2- (hydroxymethyl) -, 9-Ylmethyl Ester, (2s, 4r) - (9Ci, Aci)
Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
Molecular hnyav | 339.39 | - |
Boiling taw tes (kwv yees) | 549.8 ± 40.0 ° C | XOVXWM: 760 Torr |
Ntom ntom (kwv yees) | 1.318 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
PKA (kwv yees) | 14.53 ± 0.40 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c (occ1c = 2c = cc = cc = 3c = cc = cc = cc = cc = cc = cc = cc31) n4cc (o) CC4Co
Isomeric smiles c (OC (= O) N1 [c @ C1 (C) C1) C1) C1) C1) C1) CC3 = CC = CC3
Tus hauv onei
Inchi = 1s / C20h2No4 / C22-11-11-13-11-14 (23) 16 (16) 16 (16) 19 / h1-8,12-23h, 9-12
H2 / T13-, 14 + / M0 / S1
Inchi tus yuam sij
Scxxardqpgzaju-onogxrcsa-n
3 lwm lub npe rau cov khoom siv no
1-pyrrolidinecarboxylic acid, 4-hydroxy-2- (hydroxymethyl) -, 9s-trans-transer, (2s-trans) - (ZCI); 9-fluoren-9-Ylmethyl (2s, 4r) -4-hydroxy-2- (hydroxymethyl) -1-pyrrolidinecarboxylate (aci); (3R, 5s) -n-fmoc-3-hydroxyprolidine-5-METANOL
Cov khoom muaj |
Kev muaj txuj Ci |
Tshuaj |
Ceev |
Ncauj lus di ncauj |
Cov qauv muaj feem xyuam |
Thermal |
Kev muaj txuj Ci
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Bioconclivration qhov tseem ceeb | 49.6 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 49.6 | PHA 2; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 49.6 | PH 3; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 49.6 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 49.6 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 49.6 | p.c; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 49.6 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 49.6 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 49.6 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 49.6 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Tshuaj
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Txhim hoom | 569 | PH 1; Temp: 25 ° C | (1) ACD |
Txhim hoom | 569 | PHA 2; Temp: 25 ° C | (1) ACD |
Txhim hoom | 569 | PH 3; Temp: 25 ° C | (1) ACD |
Txhim hoom | 569 | PH 4; Temp: 25 ° C | (1) ACD |
Txhim hoom | 569 | PH 5; Temp: 25 ° C | (1) ACD |
Txhim hoom | 569 | p.c; Temp: 25 ° C | (1) ACD |
Txhim hoom | 569 | pH 7; Temp: 25 ° C | (1) ACD |
Txhim hoom | 569 | PH 8; Temp: 25 ° C | (1) ACD |
Txhim hoom | 569 | PH 9; Temp: 25 ° C | (1) ACD |
Txhim hoom | 569 | pH 10; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
logd | 2.53 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 2.53 | PHA 2; Temp: 25 ° C | (1) ACD |
logd | 2.53 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 2.53 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 2.53 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 2.53 | p.c; Temp: 25 ° C | (1) ACD |
logd | 2.53 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 2.53 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 2.53 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 2.53 | pH 10; Temp: 25 ° C | (1) ACD |
lub cim | 2.534 ± 0.636 | Temp: 25 ° C | (1) ACD |
Kev ua yeeb yam loj solubility solubility | 0.078 g / l | Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | p.c; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.078 g / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
Molar intrinsic solubility | 2.3 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
Raug solubility | 2.3 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.3 x 10-4 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.3 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.3 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.3 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.3 x 10-4 mol / l | p.c; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.3 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.3 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Raug solubility | 2.3 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.3 x 10-4 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.3 x 10-4 mol / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
Molecular hnyav | 339.39 | ||
pa kua muag | 14.53 ± 0.40 | Feem ntau acidic temp: 25 ° C | (1) ACD |
pa kua muag | -3.10 ± 0.60 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
Vapor siab | 6.35 x 10-13 torr | Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ceev
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Ceev | 1.318 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
Cov pob zeb ntim | 257.3 ± 3.0 cm3 / mol | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ncauj lus di ncauj
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Dawb doatable bonds | 6 | (1) ACD | |
H neeg txais | 5 | (1) ACD | |
H pub dawb | 2 | (1) ACD | |
H pub dawb / txais nyiaj | 7 | (1) ACD | |
lub cim | 2.534 ± 0.636 | Temp: 25 ° C | (1) ACD |
Molecular hnyav | 339.39 |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Cov qauv muaj feem xyuam
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Polar Thaj Chaw Thaj Chaw | 70.0 A2 A2 | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Thermal
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Kub taw tes | 549.8 ± 40.0 ° C | XOVXWM: 760 Torr | (1) ACD |
Enthalpy ntawm vaporization | 87.32 ± 3.0 KJ / MOL | XOVXWM: 760 Torr | (1) ACD |
Flash point | 286.3 ± 27.3 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Spectra muaj
1h nmr
13C NMR