![C38H49NO7 1-ກົດ Pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI) ຮູບພາບທີ່ໂດດເດັ່ນ](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1-ກົດ Pyrrolidinedodecanoic, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)
| ຄຸນສົມບັດທາງກາຍະພາບທີ່ສໍາຄັນ | ມູນຄ່າ | ສະພາບ |
| ນ້ຳໜັກໂມເລກຸນ | 631.80 | - |
| ຈຸດຕົ້ມ (ຄາດຄະເນ) | 779.4 ± 60.0 °C | ກົດ: 760 Torr |
| ຄວາມໜາແໜ້ນ (ຄາດຄະເນ) | 1.154±0.06 g/cm3 | ອຸນຫະພູມ: 20 °C; ກົດ: 760 Torr |
| pKa (ຄາດຄະເນ) | 4.78±0.10 | ອຸນຫະພູມອາຊິດຫຼາຍທີ່ສຸດ: 25 °C |
Canonical smiles O=C(O)CCCCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
Isomeric smiles C(OC[C@H]1N(C(CCCCCCCCCC(O)=O)=O)C[C@H](O)C1)(C2=CC=C(OC)C=C2)(C3 =CC=C(OC)C=C3)C4=CC=CC=C4
ອິນChI
InChI=1S/C38H49NO7/c1-44-34-22-18-30(19-23-34)38(29-14-10-9-1 1-15-29,31-20-24-35(45-2)25-21-31)46-28-32-26-33(40)27-39(32) 36(41)16-12-7-5-3-4-6-8-13-17-37(42)43/h9-11,14-15,18-25,32- 33,40H,3-8,12-13,16-17,26-28H2,1-2H3,(H,42,43)/t32-,33+/m0/s1
ລະຫັດ InChI
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 ຊື່ອື່ນສໍາລັບສານນີ້
(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)
| ຄຸນສົມບັດທີ່ມີຢູ່ |
| ຊີວະວິທະຍາ |
| ເຄມີ |
| ຄວາມຫນາແຫນ້ນ |
| ລິບສະກີ |
| ໂຄງສ້າງທີ່ກ່ຽວຂ້ອງ |
| ຄວາມຮ້ອນ |
ຊີວະວິທະຍາ
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 2.46 x 105 | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 2.46 x 105 | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 2.42 x 105 | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 2.11 x 105 | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 92400 | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 14000 | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 1510 | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 192 | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 58.6 | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| ປັດໄຈຄວາມເຂັ້ມຂົ້ນຂອງຊີວະພາບ | 45.3 | 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 | 2.52 x 105 | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 2.51 x 105 | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 2.47 x 105 | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 2.16 x 105 | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 94500 | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 14300 | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 1550 | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 196 | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 59.9 | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| ກຄ | 46.3 | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 7.40 | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| logD | 7.40 | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 7.39 | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 7.33 | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 6.97 | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 6.15 | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 5.19 | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 4.29 | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 3.77 | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| logD | 3.66 | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| logP | 7.397±0.598 | ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍພາຍໃນມະຫາຊົນ | 1.3 x 10-4 g/L | ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 1.3 x 10-4 g/L | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 1.3 x 10-4 g/L | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 1.3 x 10-4 g/L | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 1.5 x 10-4 g/L | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 3.5 x 10-4 g/L | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 2.3 x 10-3 g/L | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 0.021 g/L | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 0.17 g/L | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 0.55 g/L | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 0.69 g/L | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| ການລະລາຍມະຫາຊົນ | 1.3 x 10-3 g/L | Unbuffered Water pH 5.73; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar Intrinsic Solubility | 2.1 x 10-7 mol/L | ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 2.1 x 10-7 mol/L | pH 1; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 2.1 x 10-7 mol/L | pH 2; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 2.1 x 10-7 mol/L | pH 3; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 2.4 x 10-7 mol/L | pH 4; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 5.5 x 10-7 mol/L | pH 5; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 3.6 x 10-6 mol/L | pH 6; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 3.4 x 10-5 mol/L | pH 7; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 2.7 x 10-4 mol/L | pH 8; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 8.7 x 10-4 mol/L | pH 9; ອຸນຫະພູມ: 25°C | (1) ACD |
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| Molar solubility | 1.1 x 10-3 mol/L | pH 10; ອຸນຫະພູມ: 25°C | (1) ACD |
| Molar solubility | 2.1 x 10-6 mol/L | Unbuffered Water pH 5.73; ອຸນຫະພູມ: 25°C | (1) ACD |
| ນ້ຳໜັກໂມເລກຸນ | 631.80 | ||
| pKa | 4.78±0.10 | ອຸນຫະພູມອາຊິດຫຼາຍທີ່ສຸດ: 25 °C | (1) ACD |
| pKa | -2.31±0.60 | ອຸນຫະພູມຕ່ຳສຸດ: 25°C | (1) ACD |
| ຄວາມກົດດັນ vapor | 1.42 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 | 1.154±0.06 g/cm3 | ອຸນຫະພູມ: 20 °C; ກົດ: 760 Torr | (1) ACD |
| ປະລິມານ Molar | 547.3±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 | 20 | (1) ACD | |
| H ຜູ້ຮັບ | 8 | (1) ACD | |
| H ຜູ້ໃຫ້ທຶນ | 2 | (1) ACD | |
| H ຜູ້ໃຫ້ທຶນ/ຍອດຜູ້ຮັບ | 10 | (1) ACD | |
| logP | 7.397±0.598 | ອຸນຫະພູມ: 25°C | (1) ACD |
| ນ້ຳໜັກໂມເລກຸນ | 631.80 |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
ໂຄງສ້າງທີ່ກ່ຽວຂ້ອງ
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ພື້ນທີ່ຂົ້ວໂລກ | 106 A2 | (1) ACD | |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
ຄວາມຮ້ອນ
| ຊັບສິນ | ມູນຄ່າ | ສະພາບ | ທີ່ມາ |
| ຈຸດຕົ້ມ | 779.4 ± 60.0 °C | ກົດ: 760 Torr | (1) ACD |
| Enthalpy ຂອງ vaporization | 118.97±3.0 kJ/mol | ກົດ: 760 Torr | (1) ACD |
| ຈຸດ Flash | 425.2±32.9°C | (1) ACD |
(1) ການຄິດໄລ່ໂດຍໃຊ້ Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
ມີ Spectra
1H NMR
13C NMR
![C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N, N-bis(1-methylethyl)phosphoramide] ( ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine-300x300.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![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://cdn.globalso.com/nvchem/C47H60N7O10P-Guanosine-300x300.png)