![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI) ຮູບພາບທີ່ໂດດເດັ່ນ](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)
| ຄຸນສົມບັດທາງກາຍະພາບທີ່ສໍາຄັນ | ມູນຄ່າ | ສະພາບ |
| ນ້ຳໜັກໂມເລກຸນ | 641.75 | - |
| ຈຸດຕົ້ມ (ຄາດຄະເນ) | 768.7 ± 60.0 °C | ກົດ: 760 Torr |
| ຄວາມໜາແໜ້ນ (ຄາດຄະເນ) | 1.237±0.06 g/cm3 | ອຸນຫະພູມ: 20 °C; ກົດ: 760 Torr |
| pKa (ຄາດຄະເນ) | 14.50±0.40 | ອຸນຫະພູມອາຊິດຫຼາຍທີ່ສຸດ: 25 °C |
Canonical smiles O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC =C(OC)C=C7
Isomeric smile C(OC[C@H]1N(C(OCC2C=3C(C=4C2=CC=CC4)=CC=CC3)=O)C[C@H](O)C1)(C5=CC= C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
ອິນChI
InChI=1S/C41H39NO6/c1-45-33-20-16-29(17-21-33)41(28-10-4-3-5- 11-28,30-18-22-34(46-2)23-19-30)48-26-31-24-32(43)25-42(31)40( 44)47-27-39-37-14-8-6-12-35(37)36-13-7-9-15-38(36)39/h3-23,31-32,39,43H, 24-27H2,1-2H3/t31-,32+/m0/s1
ລະຫັດ InChI
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 ຊື່ອື່ນສໍາລັບສານນີ້
1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI); 9H-Fluoren-9-ylmethyl (2S,4R)-2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-1-pyrrolidinecarboxylate (ACI)
| ຄຸນສົມບັດທີ່ມີຢູ່ |
| ຊີວະວິທະຍາ |
| ເຄມີ |
| ຄວາມຫນາແຫນ້ນ |
| ລິບສະກີ |
| ໂຄງສ້າງທີ່ກ່ຽວຂ້ອງ |
| ຄວາມຮ້ອນ |
ຊີວະວິທະຍາ
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1.00 x 106 | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1.00 x 106 | 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 | 1.00 x 106 | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1.00 x 106 | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
ເຄມີ
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ກຄ | 7.70 x 105 | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 7.70 x 105 | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 7.70 x 105 | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 7.70 x 105 | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 7.70 x 105 | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 7.70 x 105 | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 7.70 x 105 | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 7.70 x 105 | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 7.70 x 105 | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 7.70 x 105 | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| logD | 8.29 | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.29 | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.29 | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.29 | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.29 | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.29 | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.29 | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.29 | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.29 | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 8.29 | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| logP | 8.289±0.729 | ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍພາຍໃນມະຫາຊົນ | 4.7 x 10-6 g/L | ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 4.7 x 10-6 g/L | Unbuffered Water pH 7.00; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar Intrinsic Solubility | 7.3 x 10-9 mol/L | ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 7.3 x 10-9 mol/L | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 7.3 x 10-9 mol/L | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 7.3 x 10-9 mol/L | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 7.3 x 10-9 mol/L | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 7.3 x 10-9 mol/L | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 7.3 x 10-9 mol/L | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 7.3 x 10-9 mol/L | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 7.3 x 10-9 mol/L | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| Molar solubility | 7.3 x 10-9 mol/L | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 7.3 x 10-9 mol/L | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 7.3 x 10-9 mol/L | Unbuffered Water pH 7.00; ອຸນຫະພູມ: 25°C | (1) ACD |
| ນ້ຳໜັກໂມເລກຸນ | 641.75 | ||
| pKa | 14.50±0.40 | ອຸນຫະພູມອາຊິດຫຼາຍທີ່ສຸດ: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | ອຸນຫະພູມຕ່ຳສຸດ: 25°C | (1) ACD |
| ຄວາມກົດດັນ vapor | 7.42 x 10-25 Torr | ອຸນຫະພູມ: 25°C | (1) ACD |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
ຄວາມຫນາແຫນ້ນ
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ຄວາມຫນາແຫນ້ນ | 1.237±0.06 g/cm3 | ອຸນຫະພູມ: 20 °C; ກົດ: 760 Torr | (1) ACD |
| ປະລິມານ Molar | 518.4±3.0 cm3/mol | ອຸນຫະພູມ: 20 °C; ກົດ: 760 Torr | (1) ACD |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
ລິບສະກີ
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ພັນທະບັດທີ່ສາມາດຫມຸນໄດ້ຢ່າງເສລີ | 12 | (1) ACD | |
| H ຜູ້ຮັບ | 7 | (1) ACD | |
| H ຜູ້ໃຫ້ທຶນ | 1 | (1) ACD | |
| H ຜູ້ໃຫ້ທຶນ/ຍອດຜູ້ຮັບ | 8 | (1) ACD | |
| logP | 8.289±0.729 | ອຸນຫະພູມ: 25°C | (1) ACD |
| ນ້ຳໜັກໂມເລກຸນ | 641.75 |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
ໂຄງສ້າງທີ່ກ່ຽວຂ້ອງ
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ພື້ນທີ່ຂົ້ວໂລກ | 77.5 A2 | (1) ACD | |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
ຄວາມຮ້ອນ
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ຈຸດຕົ້ມ | 768.7 ± 60.0 °C | ກົດ: 760 Torr | (1) ACD |
| Enthalpy ຂອງ vaporization | 117.42±3.0 kJ/mol | ກົດ: 760 Torr | (1) ACD |
| ຈຸດ Flash | 418.7 ± 32.9 ອົງສາ | (1) ACD |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
ມີ Spectra
1H NMR
13C NMR
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′– [2-cyanoethyl N, N-bis(1- methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)
![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
![C38H49NO7 1-ກົດ Pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)