C47H51FN7O7O7P ADENSINE, N-Benzoyl-5
ຫມາຍເລກທະບຽນ CAS
136834-22-5
| ຄຸນສົມບັດທາງກາຍະພາບທີ່ສໍາຄັນ | ຄຸນຄ່າ | ສະພາບ |
| ນ້ໍາຫນັກໂມເລກຸນ | 875.92 | - |
| PKA (ຄາດຄະເນ) | 7.87 ± 0.43 | temp acidic ສ່ວນໃຫຍ່: 25 ° C |
ຮອຍຍິ້ມຂອງ Canonical
n # cccop (OC1C (F) C (OC1COC (C = CC = C (CC = CC = CC = CC = CC = CC = CC = CC = CC7) N (C) C) C) C) c) c) c) c) c
isomeric ຍິ້ມ
c (OC [c @@ h] (op h] (OC) C = C5) (C6 = CC = C (C (OC) C = C = C = CC6 = CC = CIB = CC = C7 = C7
Inchi
Inchi = 1s / c47h51Fn7o7o7o7p / C1-31 (2) 55 (42) 48 (42). ) 33-14-9-7-10-193-49-4-12-12-18-25-35-35-35-33-18-25 (58-6-125, 2,46h, 13,28h2,1-6h3,,13, (H, 50,51,56) / t39-56) / t39-,56)
ກະແຈ Inchi
VCCMVPDSLHFCBB-MSIRFHOHSA-N
1 ຊື່ອື່ນໆສໍາລັບສານນີ້
entenine,N-benzoyl-5 '-O- [BIS (4-methoxyphethenl) phenylmethyl] -2 '-Dooxy-2' -FluoroRo-2 '- [2-methylethyl bis (1-methylethyl bis) phosphor amidite
ຄຸນສົມບັດທີ່ມີຢູ່
ຊີວະພາບ
ທາງເຄມີ
Lipinski
ໂຄງສ້າງທີ່ກ່ຽວຂ້ອງ
| ຊັບສິນ | ຄຸນຄ່າ | ສະພາບ | ທີ່ມາ |
| ປັດໄຈ BiConentration | 6590 | pH 1; temp: 25 ° C | (1) ACD |
| ປັດໄຈ BiConentration | 1.76 x 105 | Ph 2; temp: 25 ° C | (1) ACD |
| ປັດໄຈ BiConentration | 1.00 x 106 | Ph 3; temp: 25 ° C | (1) ACD |
| ປັດໄຈ BiConentration | 1.00 x 106 | pH 4; temp: 25 ° C | (1) ACD |
| ປັດໄຈ BiConentration | 1.00 x 106 | Ph 5; temp: 25 ° C | (1) ACD |
| ປັດໄຈ BiConentration | 1.00 x 106 | Ph 6; temp: 25 ° C | (1) ACD |
| ປັດໄຈ BiConentration | 1.00 x 106 | Ph 7; temp: 25 ° C | (1) ACD |
| ປັດໄຈ BiConentration | 1.00 x 106 | Ph 8; temp: 25 ° C | (1) ACD |
| ປັດໄຈ BiConentration | 3.43 x 105 | Ph 9; temp: 25 ° C | (1) ACD |
| ປັດໄຈ BiConentration | 99100 | pH 10; temp: 25 ° C | (1) ACD |
(1) ຄິດໄລ່ໂດຍໃຊ້ໂປແກຼມການພັດທະນາເຄມີສາດແບບພິເສດ (ACD / ຫ້ອງທົດລອງ) v11.02 (© 1994-2023 ACD / Labs)
| ແຫຼ່ງມູນຄ່າມູນຄ່າຂອງຊັບສິນ |
| KOC 2590 PH 1; temp: 25 ° C (1) ACD |
| KOC 69100 ກ 2; temp: 25 ° C (1) ACD |
| KOC 6.96 x 105 PH 3; temp: 25 ° C (1) ACD |
| KOC 2.16 x 106 PH 4; temp: 25 ° C (1) ACD |
| KOC 2.70 x 106 PH 5; temp: 25 ° C (1) ACD |
| KOC 2.71 x 106 PH 6; temp: 25 ° C (1) ACD |
| KOC 2.23 x 106 pH 7; temp: 25 ° C (1) ACD |
| KOC 8.20 x 105 pH 8; temp: 25 ° C (1) ACD |
| KOC 1.35 x 105 PH 9; temp: 25 ° C (1) ACD |
| KOC 39000 pH 10; temp: 25 ° C (1) ACD |
| ເຂົ້າສູ່ລະບົບ 6.29 PH 1; temp: 25 ° C (1) ACD |
| logd 7.71 pH 2; temp: 25 ° C (1) ACD |
| ຊັບສິນ | ຄຸນຄ່າ | ສະພາບ | ທີ່ມາ |
| ເຄື່ອງແປ້ນ | 8.71 | Ph 3; temp: 25 ° C | (1) ACD |
| ເຄື່ອງແປ້ນ | 9.20 | pH 4; temp: 25 ° C | (1) ACD |
| ເຄື່ອງແປ້ນ | 9.30 | Ph 5; temp: 25 ° C | (1) ACD |
| ເຄື່ອງແປ້ນ | 9.30 | Ph 6; temp: 25 ° C | (1) ACD |
| ເຄື່ອງແປ້ນ | 9.22 | Ph 7; temp: 25 ° C | (1) ACD |
| ເຄື່ອງແປ້ນ | 8.79 | Ph 8; temp: 25 ° C | (1) ACD |
| ເຄື່ອງແປ້ນ | 8.00 | Ph 9; temp: 25 ° C | (1) ACD |
| ເຄື່ອງແປ້ນ | 7.46 | pH 10; temp: 25 ° C | (1) ACD |
| LogP | 9.317 ± 0.714 | temp: 25 ° C | (1) ACD |
| ມະຫາຊົນ intrinsic solubility | 3.4 x 10-6 g / l | temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 3.6 x 10-3 g / l | pH 1; temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 1.3 x 10-4 g / l | Ph 2; temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 1.3 x 10-5 g / l | Ph 3; temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 4.3 x 10-6 g / l | pH 4; temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 3.4 x 10-6 g / l | Ph 5; temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 3.4 x 10-6 g / l | Ph 6; temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 4.1 x 10-6 g / l | Ph 7; temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 1.1 x 10-5 g / l | Ph 8; temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 6.9 x 10-5 g / l | Ph 9; temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 2.5 x 10-4 g / l | pH 10; temp: 25 ° C | (1) ACD |
| ການລະງັບມະຫາຊົນ | 4.1 x 10-6 g / l | pH 7.00 ທີ່ບໍ່ໄດ້ລະບຸ. temp: 25 ° C | (1) ACD |
| molar introinsic solubility | 3.9 x 10-9 mol / l | temp: 25 ° C | (1) ACD |
| ສະໂມສອນ Molar | 4.1 x 10-6 MOL / L | pH 1; temp: 25 ° C | (1) ACD |
| ສະໂມສອນ Molar | 1.5 x 10-7 MOL / L | Ph 2; temp: 25 ° C | (1) ACD |
| ສະໂມສອນ Molar | 1.5 x 10-8 MOL / L | Ph 3; temp: 25 ° C | (1) ACD |
| ສະໂມສອນ Molar | 4.9 x 10-9 mol / l | pH 4; temp: 25 ° C | (1) ACD |
| ສະໂມສອນ Molar | 3.9 x 10-9 mol / l | Ph 5; temp: 25 ° C | (1) ACD |
| ສະໂມສອນ Molar | 3.9 x 10-9 mol / l | Ph 6; temp: 25 ° C | (1) ACD |
| ສະໂມສອນ Molar | 4.7 x 10-9 MOL / L | Ph 7; temp: 25 ° C | (1) ACD |
| ສະໂມສອນ Molar | 1.3 x 10-8 MOL / L | Ph 8; temp: 25 ° C | (1) ACD |
| ສະໂມສອນ Molar | 7.9 x 10-8 MOL / L | Ph 9; temp: 25 ° C | (1) ACD |
| ສະໂມສອນ Molar | 2.8 x 10-7 MOL / L | pH 10; temp: 25 ° C | (1) ACD |
| ຊັບສິນ | ຄຸນຄ່າ | ສະພາບ | ທີ່ມາ |
| ສະໂມສອນ Molar | 4.7 x 10-9 MOL / L | pH 7.00 ທີ່ບໍ່ໄດ້ລະບຸ. temp: 25 ° C | (1) ACD |
| ນ້ໍາຫນັກໂມເລກຸນ | 875.92 | ||
| PKA | 7.87 ± 0.43 | temp acidic ສ່ວນໃຫຍ່: 25 ° C | (1) ACD |
| PKA | 3.45 ± 0.70 | ວັດພື້ນທີ່ສ່ວນໃຫຍ່: 25 ° C | (1) ACD |
(1) ຄິດໄລ່ໂດຍໃຊ້ໂປແກຼມການພັດທະນາເຄມີສາດແບບພິເສດ (ACD / ຫ້ອງທົດລອງ) v11.02 (© 1994-2023 ACD / Labs)
| ຊັບສິນ | ຄຸນຄ່າ | ສະພາບ | ທີ່ມາ |
| ພັນທະບັດຫມູນວຽນຢ່າງເສລີ | 18 | (1) ACD | |
| H ຜູ້ອ່ານ | 14 | (1) ACD | |
| H ຜູ້ໃຫ້ທຶນ | 1 | (1) ACD | |
| H ຜູ້ໃຫ້ທຶນ / ຜູ້ຮັບເອົາ | 15 | (1) ACD | |
| LogP | 9.317 ± 0.714 | temp: 25 ° C | (1) ACD |
| ນ້ໍາຫນັກໂມເລກຸນ | 875.92 |
(1) ຄິດໄລ່ໂດຍໃຊ້ໂປແກຼມການພັດທະນາເຄມີສາດແບບພິເສດ (ACD / ຫ້ອງທົດລອງ) v11.02 (© 1994-2023 ACD / Labs)
| ຊັບສິນ | ຄຸນຄ່າ | ແຫຼ່ງຂໍ້ມູນສະພາບ |
| ພື້ນທີ່ພື້ນຜິວ Polar | 169 A2 | (1) ACD |
(1) ຄິດໄລ່ໂດຍໃຊ້ໂປແກຼມການພັດທະນາເຄມີສາດແບບພິເສດ (ACD / ຫ້ອງທົດລອງ) v11.02 (© 1994-2023 ACD / Labs)
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