C30h28n2o7 6H-Furo [2 ', 3,5] OxazyDro-3-HydroxyDro-3 - [", 9R, 3AS, 9AR) - (9CI, 9RI, ACI)
Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
Molecular hnyav | 528.55 | - |
Melting taw tes (sim) | 129.5-130 ° C | - |
Boiling taw tes (kwv yees) | 688.2 ± 65.0 ° C | XOVXWM: 760 Torr |
Ntom ntom (kwv yees) | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
PKA (kwv yees) | 12.51 ± 0.40 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c1n = c2oc3c (o) cc = cc = cc = cc = cc = cc = cc = cc = c) c = c3
Isomeric smiles c (OC [B @ H] 1o [C @N = CC = CC = CC = CC = C. CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC =
Tus hauv onei
Inchi = 1s / c30h28n2o7 / c1-35-22-5-20-4-312-24-24-28 (34) 32-17-24) 32-17-24) 32-17-24) 32-17-24) 32-17-24) 32-17-24) 32-17-24) 32-17-24) 32-17-24- 16-25 (33) 31-29 (32) 3-29-27 / h3-17,24h, 18h2,1-23 / 26-, 27- / m1 / s1
Inchi tus yuam sij
Oeirlwwwww-aogfthlwsa-n
2 lwm lub npe rau cov khoom siv no
(2R, 3R, 9AS, 9AR) -2 - [methoxyphyfro-3-furrothydro-6,5] Oxazolo [3,2-a] pyrimidin-6-ib (aci); 6H-furo [2 ', 3': 4,5] Oxazolo [3,2-Axazolo [6-methylmetyl) Philyleesxy] Mthyl] -2,3A, 9A-
tetrahydro-3-hydroxy-, [2R- (2α, 3β, 3Aβ, 9naβ)] - (zci)
Cov khoom muaj |
Thermal |
Thermal
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Melting point | 129.5-130 ° C | (1) CAS |
(1) szlenkier, Makascalty; Nucleosides, nucleotides & nucleic acids, (2016), 35 (810, 410-425, Cauv
Spectra muaj |
1h nmr |
13C NMR |
IR |
Qho hnyav |
Kwv yees cov thaj chaw
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 | 1360 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1360 | PHA 2; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1360 | PH 3; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1360 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1360 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1360 | p.c; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1360 | pH 7; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Bioconclivration qhov tseem ceeb | 1360 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1360 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1350 | 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 | 6080 | PH 1; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6080 | PHA 2; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6080 | PH 3; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6080 | PH 4; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6080 | PH 5; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6080 | p.c; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6080 | pH 7; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6080 | PH 8; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6070 | PH 9; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6060 | pH 10; Temp: 25 ° C | (1) ACD |
logd | 4.42 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 4.42 | PHA 2; Temp: 25 ° C | (1) ACD |
logd | 4.42 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 4.42 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 4.42 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 4.42 | p.c; Temp: 25 ° C | (1) ACD |
logd | 4.42 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 4.42 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 4.42 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 4.42 | pH 10; Temp: 25 ° C | (1) ACD |
lub cim | 4.424 ± 0.618 | Temp: 25 ° C | (1) ACD |
Kev ua yeeb yam loj solubility solubility | 5.8 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-4 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Loj solubility | 5.8 x 10-4 g / l | p.c; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.8 x 10-4 g / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
Molar intrinsic solubility | 1.1 x 10-6 mol / l | Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | p.c; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
Molecular hnyav | 528.55 | ||
pa kua muag | 12.51 ± 0.40 | Feem ntau acidic temp: 25 ° C | (1) ACD |
pa kua muag | -4.70 ± 0.60 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
Vapor siab | 6.91 x 10-20 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 | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
Cov pob zeb ntim | 389.8 ± 7.0 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 | 9 | (1) ACD | |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
H neeg txais | 9 | (1) ACD | |
H pub dawb | 1 | (1) ACD | |
H pub dawb / txais nyiaj | 10 | (1) ACD | |
lub cim | 4.424 ± 0.618 | Temp: 25 ° C | (1) ACD |
Molecular hnyav | 528.55 |
(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 | 99.1 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 | 688.2 ± 65.0 ° C | XOVXWM: 760 Torr | (1) ACD |
Enthalpy ntawm vaporization | 105.96 ± 3.0 KJ / MOL | XOVXWM: 760 Torr | (1) ACD |
Flash point | 370.0 ± 34.3 ° 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