C30h28n2o7 6h-furo [2 ', 3,5] priylmethoxy] Methylmethox] Methyl] ACI)
Key Force Properties | Kukosha | Mamiriro |
Sreek inoremerwa | 528.55 | - |
Inline point (kuyedza) | 129.5-130 ° C | - |
Boiling Point (yakafanotaurwa) | 688.2 × 65.0 ° C | Press: 760 Torr |
Density (yakafanotaurwa) | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (akafanotaura) | 12.51 × 0.40 | Yakawanda Acadic Temp: 25 ° C |
Canonical SMILES O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric smiles c (oc [c @ h] 1o [c @] 2 ([c @]
Ichi
Inchi = 1S / c30h28n2o7 / C1-35-22-8-4-3) 30 (19-13-25) 30 (19-13-25) 30-16-16-16-25) 37-11-21) 37-18 (34) 16-25 (33) 31-27 / H3-17,24,26,26,28,44H, 18-H2H3 / T24-, 27 + / M1 / S1
Inchi kiyi
OeirlwhcgaicDDW-AOGFTHLWSA-N
Mamwe mazita echinhu ichi
(2R, 3R, 3AS, 9AR) -2 - [Bis (methylpheyl) Metylmethoxy] Methyl 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-
Tetrahydro-3-Hydroxy-, [2- (2β, 3aβ)] - (ZCI)
Zvivakwa zviripo |
Thermal |
Thermal
Chivakwa | Kukosha | Mamiriro | Kunobva |
Inonyungudika | 129.5-130 ° C | (1) CAT |
(1) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35 (8), 410-425, Caplus
Spectra inowanikwa |
1h Nmr |
13c NMR |
IR |
Misa |
Yakafanotaura zvivakwa
Zvivakwa zviripo |
Biological |
CHEMICAL |
Density |
Lipininski |
Chimiro chakabatana |
Thermal |
Biological
Chivakwa | Kukosha | Mamiriro | Kunobva |
Bioconentice Factor | 1360 | ph 1; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1360 | Ph 2; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1360 | Ph 3; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1360 | Ph 4; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1360 | Ph 5; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1360 | Ph 6; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1360 | Ph7; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Bioconentice Factor | 1360 | Ph:; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1360 | Ph 9; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1350 | Ph 10; Temp: 25 ° C | (1) ACD |
.
CHEMICAL
Chivakwa | Kukosha | Mamiriro | Kunobva |
Koc | 6080 | ph 1; Temp: 25 ° C | (1) ACD |
Koc | 6080 | Ph 2; Temp: 25 ° C | (1) ACD |
Koc | 6080 | Ph 3; Temp: 25 ° C | (1) ACD |
Koc | 6080 | Ph 4; Temp: 25 ° C | (1) ACD |
Koc | 6080 | Ph 5; Temp: 25 ° C | (1) ACD |
Koc | 6080 | Ph 6; Temp: 25 ° C | (1) ACD |
Koc | 6080 | Ph7; Temp: 25 ° C | (1) ACD |
Koc | 6080 | Ph:; Temp: 25 ° C | (1) ACD |
Koc | 6070 | Ph 9; Temp: 25 ° C | (1) ACD |
Koc | 6060 | Ph 10; Temp: 25 ° C | (1) ACD |
Logd | 4.42 | ph 1; Temp: 25 ° C | (1) ACD |
Logd | 4.42 | Ph 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 | Ph 6; Temp: 25 ° C | (1) ACD |
Logd | 4.42 | Ph7; Temp: 25 ° C | (1) ACD |
Logd | 4.42 | Ph:; 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 |
logp | 4.424 × 0.618 | Temp: 25 ° C | (1) ACD |
Misa intrinsic solubility | 5.8 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-4 g / l | ph 1; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-4 g / l | Ph 2; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-4 g / l | Ph 3; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-4 g / l | Ph 4; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-4 g / l | Ph 5; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Misa Solubility | 5.8 x 10-4 g / l | Ph 6; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-4 g / l | Ph7; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-4 g / l | Ph:; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-4 g / l | Ph 9; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-4 g / l | Ph 10; Temp: 25 ° C | (1) ACD |
Misa Solubility | 5.8 x 10-4 g / l | Mvura isina kuvharwa Ph 9 7.00; Temp: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 1.1 x 10-6 Mol / l | Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Ph 2; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Ph 3; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Ph 4; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Ph 5; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Ph 6; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Ph7; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Ph:; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Ph 9; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Ph 10; Temp: 25 ° C | (1) ACD |
Moul solubility | 1.1 x 10-6 Mol / l | Mvura isina kuvharwa Ph 9 7.00; Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 528.55 | ||
Pka | 12.51 × 0.40 | Yakawanda Acadic Temp: 25 ° C | (1) ACD |
Pka | -4.70 × 0.60 | Yakanyanya kukosha temp: 25 ° C | (1) ACD |
Vapor kumanikidzwa | 6.91 x 10-20 Torr | Temp: 25 ° C | (1) ACD |
.
Density
Chivakwa | Kukosha | Mamiriro | Kunobva |
Density | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Malal vhoriyamu | 389.8 ± 7.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
.
Lipininski
Chivakwa | Kukosha | Mamiriro | Kunobva |
Zvisikwa zvakasununguka zvinosununguka | 9 | (1) ACD | |
Chivakwa | Kukosha | Mamiriro | Kunobva |
H Acceltors | 9 | (1) ACD | |
H Vanopa | 1 | (1) ACD | |
H Anopa / Mugamuchire Sum | 10 | (1) ACD | |
logp | 4.424 × 0.618 | Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 528.55 |
.
Chimiro chakabatana
Chivakwa | Kukosha | Mamiriro | Kunobva |
Polar Pource Area | 99.1 A2 | (1) ACD |
.
Thermal
Chivakwa | Kukosha | Mamiriro | Kunobva |
Boiling Point | 688.2 × 65.0 ° C | Press: 760 Torr | (1) ACD |
Enthalpy yeVaporization | 105.96 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
Flash Pfungwa | 370.0 ± 34.3 ° C | (1) ACD |
.
Spectra inowanikwa
1h Nmr
13c NMR