![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidite] (ACI) Kiʻi Hōʻikeʻike](https://www.csnvchem.com/uploads/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidite] (ACI)
Helu Kakau CAS
251647-53-7
H302
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 932.01 | - |
| pKa (Wanamua) | 7.87±0.43 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
KAONIKA SMILES
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C (OC)C=C6)C7=CC=C(OC) C=C7)N(C(C)C)C(C)C
NĀ ʻAʻO ʻIsomeric
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5 =CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-9- 13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45(44)62-30-29-59-5)56-33-54-43 -46(52-32-53-47(43)56)55-48(58)36-15-10-8-11-16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-,44-,45-,49-,67?/m1 /s1
InChI Ki
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Nā inoa ʻē aʻe no kēia mea
Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)
phosphoramidite] (9CI); 16: PN: US20030211606 PAGE: 19 i koi ʻia ke kaʻina; 16: PN: US20030212017 PAGE: 20 i koi ʻia ke kaʻina; 17: PN: US20040005569 PAGE: 22 i koi ʻia ke kaʻina; 19: PN: US20040006030 ʻAoʻao: 23 i koi ʻia ke kaʻina; 19: PN: US20040014047
ʻAoʻao: 21 koi ʻia ke kaʻina; 19: PN: US20040014049 PAGE: 21 i koi ʻia ke kaʻina; 20: PN: US20040005570 PAGE: 20 koi ʻia
kaʻina; 20: PN: US20040014048 ʻAoʻao: 21 i koi ʻia ke kaʻina; 20: PN: US20040014050 ʻAoʻao: 20 i koi ʻia ke kaʻina; 21: PN: U
S20040005565 PAGE: 17- 22 ka ʻōlelo i koi ʻia; 21: PN: US20040014051 ʻAoʻao: 23 i koi ʻia ke kaʻina; 22: PN: US20040014699 ʻAoʻao: 20 i koi ʻia ke kaʻina; 23: PN: US20040006029 ʻAoʻao: 23 i koi ʻia ke kaʻina; 23: PN: WO03106645 ʻAoʻao: 73 i koi ʻia ke kaʻina; 94: P N: US20040005707 ʻAoʻao: 20 ʻōlelo i ʻōlelo ʻia.
Loaʻa ka Spectra
1 H NMR
13 C NMR
Hetero NMR
Loaʻa nā waiwai
olaola
Kemika
Lipinski
Kapili Pili
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 2680 | pH 1; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 71500 | pH 2; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 7.21 x 105 | pH 3; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.00 x 106 | pH 4; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.00 x 106 | pH 5; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.00 x 106 | pH 6; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.00 x 106 | pH 7; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 8.48 x 105 | pH 8; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.39 x 105 | pH 9; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 40300 | pH 10; Ka mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 1360 | pH 1; Ka mahana: 25 °C | (1) ACD |
| Koc | 36300 | pH 2; Ka mahana: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | pH 3; Ka mahana: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Ka mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 1.42 x 106 | pH 5; Ka mahana: 25 °C | (1) ACD |
| Koc | 1.42 x 106 | pH 6; Ka mahana: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7; Ka mahana: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8; Ka mahana: 25 °C | (1) ACD |
| Koc | 70800 | pH 9; Ka mahana: 25 °C | (1) ACD |
| Koc | 20500 | pH 10; Ka mahana: 25 °C | (1) ACD |
| logD | 5.77 | pH 1; Ka mahana: 25 °C | (1) ACD |
| logD | 7.20 | pH 2; Ka mahana: 25 °C | (1) ACD |
| logD | 8.20 | pH 3; Ka mahana: 25 °C | (1) ACD |
| logD | 8.69 | pH 4; Ka mahana: 25 °C | (1) ACD |
| logD | 8.79 | pH 5; Ka mahana: 25 °C | (1) ACD |
| logD | 8.79 | pH 6; Ka mahana: 25 °C | (1) ACD |
| logD | 8.71 | pH 7; Ka mahana: 25 °C | (1) ACD |
| logD | 8.27 | pH 8; Ka mahana: 25 °C | (1) ACD |
| logD | 7.49 | pH 9; Ka mahana: 25 °C | (1) ACD |
| logD | 6.95 | pH 10; Ka mahana: 25 °C | (1) ACD |
| logP | 8.803±0.766 | Ka mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 5.4 x 10-5 g/L | Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.051 g/L | pH 1; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.9 x 10-3 g/L | pH 2; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.9 x 10-4 g/L | pH 3; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 6.0 x 10-5 g/L | pH 4; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.8 x 10-5 g/L | pH 5; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.8 x 10-5 g/L | pH 6; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-5 g/L | pH 7; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.6 x 10-4 g/L | pH 8; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.3 x 10-4 g/L | pH 9; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.6 x 10-3 g/L | pH 10; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.7 x 10-5 g/L | Wai hoʻopaʻa ʻole pH 6.97; Ka mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 5.8 x 10-8 mol/L | Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.5 x 10-5 mol/L | pH 1; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.0 x 10-6 mol/L | pH 2; Ka mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 2.0 x 10-7 mol/L | pH 3; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.4 x 10-8 mol/L | pH 4; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.1 x 10-8 mol/L | pH 5; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.1 x 10-8 mol/L | pH 6; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.2 x 10-8 mol/L | pH 7; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-7 mol/L | pH 8; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.0 x 10-6 mol/L | pH 9; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.9 x 10-6 mol/L | pH 10; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.1 x 10-8 mol/L | Wai hoʻopaʻa ʻole pH 6.97; Ka mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 932.01 | ||
| pKa | 7.87±0.43 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | ʻO ka mahana kumu loa: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kūlana | Puna |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 22 | (1) ACD | |
| H Ka poe e ae | 16 | (1) ACD | |
| H Na kokua | 1 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 17 | (1) ACD | |
| logP | 8.803±0.766 | Ka mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 932.01 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kumu Kūlana |
| Wahi Polar | 187 A2 | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1 H NMR
13 C NMR
| Kumu Hōʻike Hazard Code | |
| H302 Poino ke aleia | Hoʻokaʻawale ʻia a me ka hoʻopaʻa inoa ʻana o ka European Chemical Agency (ECHA). Inventory - Hoʻolaha ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Hoʻokaʻawale a me ka Lepili ʻana - Hoʻolaha ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi loa |
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