![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7- methyl-, (2r, 3r, 3as, 9ar)- (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7- methyl-, (2r, 3r, 3as, 9ar)- (9ci, aci)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7- methyl-, (2r, 3r, 3as, 9ar)- (9ci, aci)
| Ključne fizikalne lastnosti | Vrednost | Stanje |
| Molekularna teža | 542.58 | - |
| Vrelišče (napovedano) | 692,9 ± 65,0 ° C. | Pritisnite: 760 Torr |
| Gostota (napovedano) | 1,33 ± 0,1 g/cm3 | Temp: 20 ° C; Pritisnite: 760 Torr |
| PKA (napovedano) | 12,51 ± 0,60 | Najbolj kisla temp: 25 ° C |
Kanonični nasmehi o = c1n = c2oc3c (o) c (oc3n2c = c1c) coc (c = 4c = cc = cc4) (c5 = cc = c (oc) c = c5) c6 = cc = c (oc) c = c6
Izomerni nasmehi c (oc [c@h] 1o [c @@] 2 ([c@] ([c @@ h] 1o) (oc = 3n2c = c (c) c (= o) n3) [h]) [h]) (c4 = cc = c (oc) c = cc = cc = c6
Inchi
INCHI = 1S/C31H30N2O7/C1-19-17-33-29-27 (40-30 (33) 32-28 (19) 35) 26 (34) 25 (39-29) 18-38-31 (20-7-5-4-4-4-21-9-9-13-23
) 22-11-15-24 (37-3) 16-12-22/H4-17,25-27,29,34H, 18H2,1-3H3/T25-, 26-, 27+, 29-/m1/s1
KLJUČ INCHI
Bqeqceznlikssh-cithkvlssa-n
1 drugo ime za to snov
(2r, 3r, 3as, 9Ar) -2-[[bis (4-metoksifenil) fenilmetoksi] metil] -2,3,3a, 9a-tetrahidro-3-hidroksi-7-metil-6H-furo [2,2-a) (3,2-a).
Na voljo so spektri
1H NMR
13C NMR
Masa
| Na voljo so lastnosti |
| Biološko |
| Kemična |
| Gostota |
| Lipinski |
| Povezana struktura |
| Toplotna |
Biološko
| Lastnina | Vrednost | Stanje | Vir |
| Faktor biokoncentracije | 2800 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 2800 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 2800 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 2800 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 2800 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 2800 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 2800 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 2800 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 2800 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 2790 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kemična
| Lastnina | Vrednost | Stanje | Vir |
| Koc | 10200 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 5; Temp: 25 ° C. | (1) ACD |
| Lastnina | Vrednost | Stanje | Vir |
| Koc | 10200 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 10200 | pH 10; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.84 | pH 1; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.84 | pH 2; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.84 | pH 3; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.84 | pH 4; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.84 | pH 5; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.84 | pH 6; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.84 | pH 7; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.84 | pH 8; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.84 | pH 9; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.84 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4.839 ± 0,618 | Temp: 25 ° C. | (1) ACD |
| Masna intrinzična topnost | 3,6 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 3,6 x 10-4 g/l | Unbuffered Water pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molarna intrinzična topnost | 6,6 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,6 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,6 x 10-7 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,6 x 10-7 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Lastnina | Vrednost | Stanje | Vir |
| Molarna topnost | 6,6 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,6 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,6 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,6 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,6 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,6 x 10-7 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,7 x 10-7 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 6,6 x 10-7 mol/l | Unbuffered Water pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molekularna teža | 542.58 | ||
| PKA | 12,51 ± 0,60 | Najbolj kisla temp: 25 ° C | (1) ACD |
| PKA | -4,38 ± 0,60 | Najosnovnejša temp: 25 ° C | (1) ACD |
| Parni tlak | 3,73 x 10-20 Torr | Temp: 25 ° C. | (1) ACD |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Gostota
| Lastnina | Vrednost | Stanje | Vir |
| Gostota | 1,33 ± 0,1 g/cm3 | Temp: 20 ° C; Pritisnite: 760 Torr | (1) ACD |
| Molarni volumen | 404,9 ± 7,0 cm3/mol | Temp: 20 ° C; Pritisnite: 760 Torr | (1) ACD |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Lastnina | Vrednost | Stanje | Vir |
| Prosto vrtljive vezi | 9 | (1) ACD | |
| H sprejemniki | 9 | (1) ACD | |
| H donatorji | 1 | (1) ACD | |
| H vsota darovalca/sprejemnika | 10 | (1) ACD | |
| logp | 4.839 ± 0,618 | Temp: 25 ° C. | (1) ACD |
| Molekularna teža | 542.58 |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Povezana struktura
| Lastnina | Vrednost | Stanje | Vir |
| Polarna površina | 99.1 A2 | (1) ACD | |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Toplotna
| Lastnina | Vrednost | Stanje | Vir |
| Vrelišča | 692,9 ± 65,0 ° C. | Pritisnite: 760 Torr | (1) ACD |
| Entalpija uparjanja | 106,61 ± 3,0 kJ/mol | Pritisnite: 760 Torr | (1) ACD |
| Flash Point | 372,8 ± 34,3 ° C. | (1) ACD |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Na voljo so spektri
1H NMR
13C NMR
![C39H37N5O7 adenozin, N-Benzoyl-5'-O- [bis (4-metoksifenil) fenilmetil] -2'- O-metil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C20H31NO5 heptanojska kislina, 3- hidroksi-5-metil-4-[(fenilmetoksi) karbonil] amino]-, 1,1-dimetiletil ester, [3R- (3R*, 4S*, 5S*)-(9Ci) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C47H51FN7O7P adenozin, n-benzoyl-5 ′ -O- [bis (4-metoksifenil) fenilmetil] -2 ′-deoksi-2 ′-fluoro-3 '-[2-kinoetil n, n-BIS (1-metiltil) fosfor) (aciletil) fosfor)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine-300x300.png)
![C34H39N3O8 Citidin, 5'-O- [bis (4-metoksifenil) fenilmetil] -2'-O- (2-metox yetil) -5-metil- (9ci, aci)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C21H23N3O5 L-ORnitin, N5- (aminokarbonil) -n2-[(9H-fluoren-9-ilmetoksi) karbonil]-(9ci, aci)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)