![C44H53FN7O8 guanosine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluoro-n- (2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl n, n-bis (1-methyl ethyl) phosphoramidite] (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H53FN7O8 guanosine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluoro-n- (2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl n, n-bis (1-methyl ethyl) phosphoramidite] (aci) (](https://cdn.globalso.com/nvchem/C44H53FN7O8.png)
C44H53FN7O8 guanosine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluoro-n- (2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl n, n-bis (1-methyl ethyl) phosphoramidite] (ACI) (ACI) (ACI) (ACI) (ACI) (ACI) (
Numero ng rehistro ng CAS
144089-97-4
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 857.91 | - |
| pka (hinulaang) | 9.16 ± 0.20 | Karamihan sa acidic temp: 25 ° C. |
Canonical smiles
N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = NC = 6C (= O) N = C (NC (= O) C (C) C) NC65) N (C (C) C) C) C
Ngumiti si Isomeric
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (f) [c @@ h] (o1) n2c3 = c (n = c2) c (= o) n = c (nc (c (c) c) = o) n3) (c4 = cc = c (oc) c = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C44H53FN7O8P/C1-27 (2) 40 (53) 49-43-48-39-37 (41 (54) 50-43) 47-26-51 (39) 42-36 (45) 38 (60-61 (58-24-12-23-46) 52 (28 (3) 4) 29 (5) 6) 35 (59-42) 25-57-44 (30-13-10-9-11-14-30,31-15-19-33 (55-7) 20-16-31) 32-17-21-34 (56-8) 22-18-32/H9-11,13-22,26-29,35-36,38,42H, 12, 24-25H2,1-8H3, (H2,48,49,50,53,54)/T35-, 36-, 38-, 42-, 61?/M1/S1
Inchi key
Kjfumxzzvymqeu-aocjbpqjsa-n
1 iba pang pangalan para sa sangkap na ito
Guanosine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-N-.
Magagamit ang mga pag -aari
Biological
Kemikal
Lipinski
May kaugnayan sa istraktura
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 298 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 6350 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 57800 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.76 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.21 x 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.26 x 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.24 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.03 x 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.04 x 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 19300 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Pinagmulan ng Halaga ng Kondisyon ng Pag -aari |
| KOC 312 PH 1; Temp: 25 ° C (1) ACD |
| KOC 6630 PH 2; Temp: 25 ° C (1) ACD |
| KOC 60400 pH 3; Temp: 25 ° C (1) ACD |
| KOC 1.84 x 105 pH 4; Temp: 25 ° C (1) ACD |
| KOC 2.31 x 105 pH 5; Temp: 25 ° C (1) ACD |
| KOC 2.37 x 105 pH 6; Temp: 25 ° C (1) ACD |
| KOC 2.35 x 105 pH 7; Temp: 25 ° C (1) ACD |
| KOC 2.12 x 105 pH 8; Temp: 25 ° C (1) ACD |
| KOC 1.08 x 105 pH 9; Temp: 25 ° C (1) ACD |
| KOC 20200 PH 10; Temp: 25 ° C (1) ACD |
| logd 4.47 pH 1; Temp: 25 ° C (1) ACD |
| logd 5.80 pH 2; Temp: 25 ° C (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| logd | 6.76 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.24 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.34 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.35 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.35 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 7.30 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 7.01 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.28 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 7.351 ± 0.713 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 3.0 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.022 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.0 x 10-3 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.2 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.9 x 10-5 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.1 x 10-5 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.0 x 10-5 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.0 x 10-5 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.3 x 10-5 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 6.5 x 10-5 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-4 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.0 x 10-5 g/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 3.5 x 10-8 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.6 x 10-5 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.2 x 10-6 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.4 x 10-7 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.5 x 10-8 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.6 x 10-8 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.5 x 10-8 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.5 x 10-8 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.9 x 10-8 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 7.6 x 10-8 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.1 x 10-7 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 3.5 x 10-8 mol/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 857.91 | ||
| PKA | 9.16 ± 0.20 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 3.45 ± 0.70 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Mapagkukunan ng kondisyon |
| Polar Surface Area | 184 A2 | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 18 | (1) ACD | |
| H Mga Tanggap | 15 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 17 | (1) ACD | |
| Logp | 7.351 ± 0.713 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 857.91 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
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