![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl)phosphor amidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl)phosphor amidite] (ACI) ຮູບພາບທີ່ໂດດເດັ່ນ](https://www.csnvchem.com/uploads/C48H54N7O8P.png)
C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl)phosphor amidite] (ACI)
ໝາຍເລກທະບຽນ CAS
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
| ຄຸນສົມບັດທາງກາຍະພາບທີ່ສໍາຄັນ | ມູນຄ່າ | ສະພາບ |
| ນ້ຳໜັກໂມເລກຸນ | 887.96 | - |
| pKa (ຄາດຄະເນ) | 7.87±0.43 | ອຸນຫະພູມອາຊິດຫຼາຍທີ່ສຸດ: 25 °C |
Canonical smiles
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OC)COC(C=5C=CC=CC5)(C6=CC=C (OC)C=C6)C7=CC=C(OC)C=C7 )N(C(C)C)C(C)C
ຮອຍຍິ້ມ Isomeric
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[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
ອິນChI
InChI= 1S/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7) 54-31-52-41-44(50-30-51-45(41)54)53-46(5 6)34-15-10-8-11-16-34)29-60-48(35) -17-12-9-13-18-35,36-19-23-38(57-5)24-20-36)37-21-25-39(58-6)26-22-37/h8 -13,15-26,30-33,40,4 2-43,47H,14,28-29H2,1-7H3,(H,50,51,53,56)/t40-,42-,43- ,47-,64?/m1/s1
ລະຫັດ InChI
AZCGOTUYEPXHMJ-PSVHYZMASA-N
2 ຊື່ອື່ນສໍາລັບສານນີ້
Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI); 5′ -O-(4,4′ -dimethoxytrityl)-N6-benzoyl-2′ -O-methyladenosine 3′ - (2-cyanoethylN,N- diisopropylphosphoramidite
ມີ Spectra
13 C NMR
Hetero NMR
ມະຫາຊົນ
ຄຸນສົມບັດທີ່ມີຢູ່
ຊີວະວິທະຍາ
ເຄມີ
ລິບສະກີ
ໂຄງສ້າງທີ່ກ່ຽວຂ້ອງ
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 4050 | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1.08 x 105 | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1.00 x 106 | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1.00 x 106 | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1.00 x 106 | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1.00 x 106 | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1.00 x 106 | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1.00 x 106 | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 2.10 x 105 | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 60800 | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ກຄ | 1830 | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 48700 | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 4.91 x 105 | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 1.52 x 106 | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 1.90 x 106 | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 1.91 x 106 | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 1.57 x 106 | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ກຄ | 5.78 x 105 | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 95000 | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 27500 | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 6.01 | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 7.43 | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.44 | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.93 | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 9.02 | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 9.02 | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.94 | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.51 | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 7.72 | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 7.18 | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| logP | 9.038±0.723 | ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍພາຍໃນມະຫາຊົນ | 1.4 x 10-5 g/L | ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 0.014 g/L | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 5.3 x 10-4 g/L | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 5.3 x 10-5 g/L | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 1.7 x 10-5 g/L | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 1.3 x 10-5 g/L | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 1.3 x 10-5 g/L | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 1.7 x 10-5 g/L | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.5 x 10-5 g/L | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 2.8 x 10-4 g/L | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 9.8 x 10-4 g/L | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 1.7 x 10-5 g/L | Unbuffered Water pH 6.99; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar Intrinsic Solubility | 1.6 x 10-8 mol/L | ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 1.6 x 10-5 mol/L | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 6.0 x 10-7 mol/L | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 6.0 x 10-8 mol/L | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 1.9 x 10-8 mol/L | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 1.5 x 10-8 mol/L | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| Molar solubility | 1.5 x 10-8 mol/L | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 1.9 x 10-8 mol/L | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 5.1 x 10-8 mol/L | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 3.1 x 10-7 mol/L | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 1.1 x 10-6 mol/L | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 1.9 x 10-8 mol/L | Unbuffered Water pH 6.99; ອຸນຫະພູມ: 25°C | (1) ACD |
| ນ້ຳໜັກໂມເລກຸນ | 887.96 | ||
| pKa | 7.87±0.43 | ອຸນຫະພູມອາຊິດຫຼາຍທີ່ສຸດ: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | ອຸນຫະພູມຕ່ຳສຸດ: 25°C | (1) ACD |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ພັນທະບັດທີ່ສາມາດຫມຸນໄດ້ຢ່າງເສລີ | 19 | (1) ACD | |
| H ຜູ້ຮັບ | 15 | (1) ACD | |
| H ຜູ້ໃຫ້ທຶນ | 1 | (1) ACD | |
| H ຜູ້ໃຫ້ທຶນ/ຍອດຜູ້ຮັບ | 16 | (1) ACD | |
| logP | 9.038±0.723 | ອຸນຫະພູມ: 25°C | (1) ACD |
| ນ້ຳໜັກໂມເລກຸນ | 887.96 |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| ຊັບສິນ | ມູນຄ່າ | ແຫຼ່ງເງື່ອນໄຂ |
| ພື້ນທີ່ຂົ້ວໂລກ | 178 A2 | (1) ACD |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
ມີ Spectra
1 H NMR
13 C NMR
| ລະຫັດ | ຖະແຫຼງການອັນຕະລາຍ | ທີ່ມາ |
| H335 | ອາດຈະເຮັດໃຫ້ເກີດການລະຄາຍເຄືອງທາງຫາຍໃຈ | ຜູ້ຊ່ຽວຊານຄັດສັນມາ |
| ລະຫັດ | ຖະແຫຼງການອັນຕະລາຍ | ທີ່ມາ |
| H331 | ເປັນພິດຖ້າຫາຍໃຈເຂົ້າ | ຜູ້ຊ່ຽວຊານຄັດສັນມາ |
| H319 | ເຮັດໃຫ້ເກີດການລະຄາຍເຄືອງຕາຢ່າງຮ້າຍແຮງ | ຜູ້ຊ່ຽວຊານຄັດສັນມາ |
| H315 | ເຮັດໃຫ້ເກີດການລະຄາຍເຄືອງຜິວຫນັງ | ຜູ້ຊ່ຽວຊານຄັດສັນມາ |
| H311 | ສານພິດຕິດຕໍ່ກັບຜິວຫນັງ | ຜູ້ຊ່ຽວຊານຄັດສັນມາ |
| H301+H311+H331 | ເປັນພິດຖ້າກືນເຂົ້າໄປ, ຕິດຕໍ່ກັບຜິວໜັງ ຫຼື ຫາຍໃຈເຂົ້າ | ຜູ້ຊ່ຽວຊານຄັດສັນມາ |
| H301 | ເປັນພິດຖ້າກືນກິນ | ຜູ້ຊ່ຽວຊານຄັດສັນມາ |
![C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramide] (ACI)](https://www.csnvchem.com/uploads/C45H56N7O9P-300x300.png)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine-300x300.png)
![C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl)phosphoramide] (ACI )](https://www.csnvchem.com/uploads/C39H46FN4O8P-Uridine-300x300.png)
![C41H49FN5O8P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl) phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.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)phosphoramide] (ACI)](https://www.csnvchem.com/uploads/C44H53FN7O8-300x300.png)
![C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-methylethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine-300x300.png)