C30h28n2o7 6H-Furo [2 ', 3,5] OxazyDro-3-HydroxyDro-3 - [", 9R, 3AS, 9AR) - (9CI, 9RI, ACI)

khoom

C30h28n2o7 6H-Furo [2 ', 3,5] OxazyDro-3-HydroxyDro-3 - [", 9R, 3AS, 9AR) - (9CI, 9RI, ACI)

Cov Lus Qhia Yooj Yim:


Khoom Qhia Qhia

Khoom Ntawv

Cov Khoom Siv Lub Cev

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

Lwm lub npe thiab cov cim

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 Siv Kev Ntxim Sim

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

Sim spectra

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)

Kwv yees spectra

Spectra muaj
1h nmr
13C NMR


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