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)
Helu Kakau CAS
163878-63-5
H302
Na Waiwai Kino Nui | Waiwai | Kūlana |
Kaumaha Molekala | 818.89 | - |
pKa (Wanamua) | 9.55±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
KANAKA MANAKA
N#CCCOP(OC1C(OC(N2C=C(C(=O))NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5= CC=C(OC)C=C5)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(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5
InChI
InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25- 50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21 -36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
InChI Ki
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Nā inoa ʻē aʻe no kēia mea
Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphor
amidite] (9CI); 10: PN: US20030212017 PAGE: 18 i koi iā RNA; 11: PN: US20030211606 PAGE: 18 i koi iā RNA; 13: PN: US20040
005569 PAGE: 21 koi iā RNA; 13: PN: US20040006030 PAGE: 22 i koi ʻia ʻo RNA; 13: PN: US20040014048 PAGE: 19 i koi ʻia ʻo RNA; 13: PN: US20040014049 PAGE: 19 i koi ʻia ʻo RNA; 14: PN: US20030198965 PAGE: 19 i koi ʻia ʻo RNA; 14: PN: US20040005565 PAGE: 17- 22 i koi ʻia ʻo RNA; 14: PN: US20040005570 ʻAO: 19 i koi ʻia ʻo RNA; 14: PN: US20040014047 PAGE: 19 i koi ʻia ʻo RNA; 14: PN: US20040
014699 PAGE: 19 koi iā RNA; 15: PN: US20040014050 PAGE: 19 i koi ʻia ʻo RNA; 15: PN: US20040014051 PAGE: 21 i koi ʻia ʻo RNA; 15:
PN: WO03106645 PAGE: 69 i koi iā RNA; 16: PN: US20040006029 PAGE: 22 i koi ʻia ʻo RNA; 87: PN: US20040005707 PAGE: 19 i koi ʻia ʻo RNA
Loaʻa ka Spectra
1 H NMR
13 C NMR
Hetero NMR
Loaʻa nā waiwai
olaola
Kemika
Lipinski
Hoʻonohonoho pili
Waiwai | Waiwai | Kūlana | Puna |
ʻO ke kumu bioconcentration | 348 | pH 1; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 2810 | pH 2; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 21100 | pH 3; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 63100 | pH 4; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 78800 | pH 5; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 80800 | pH 6; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 80800 | pH 7; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 78800 | pH 8; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 63400 | pH 9; Mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 21800 | pH 10; 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 | 487 | pH 1; Mahana: 25 °C | (1) ACD |
Koc | 3940 | pH 2; Mahana: 25 °C | (1) ACD |
Koc | 29600 | pH 3; Mahana: 25 °C | (1) ACD |
Koc | 88400 | pH 4; Mahana: 25 °C | (1) ACD |
Waiwai | Waiwai | Kūlana | Puna |
Koc | 1.10 x 105 | pH 5; Mahana: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Mahana: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Mahana: 25 °C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Mahana: 25 °C | (1) ACD |
Koc | 88800 | pH 9; Mahana: 25 °C | (1) ACD |
Koc | 30600 | pH 10; Mahana: 25 °C | (1) ACD |
logD | 4.39 | pH 1; Mahana: 25 °C | (1) ACD |
logD | 5.30 | pH 2; Mahana: 25 °C | (1) ACD |
logD | 6.18 | pH 3; Mahana: 25 °C | (1) ACD |
logD | 6.65 | pH 4; Mahana: 25 °C | (1) ACD |
logD | 6.75 | pH 5; Mahana: 25 °C | (1) ACD |
logD | 6.76 | pH 6; Mahana: 25 °C | (1) ACD |
logD | 6.76 | pH 7; Mahana: 25 °C | (1) ACD |
logD | 6.75 | pH 8; Mahana: 25 °C | (1) ACD |
logD | 6.65 | pH 9; Mahana: 25 °C | (1) ACD |
logD | 6.19 | pH 10; Mahana: 25 °C | (1) ACD |
logP | 6.761±0.669 | Mahana: 25 °C | (1) ACD |
Hoʻoheheʻe i loko o ka nui | 2.0 x 10-4 g/L | Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 0.046 g/L | pH 1; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 5.7 x 10-3 g/L | pH 2; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 7.6 x 10-4 g/L | pH 3; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 2.5 x 10-4 g/L | pH 4; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 2.0 x 10-4 g/L | pH 5; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 2.0 x 10-4 g/L | pH 6; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 2.0 x 10-4 g/L | pH 7; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 2.0 x 10-4 g/L | pH 8; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 2.5 x 10-4 g/L | pH 9; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 7.4 x 10-4 g/L | pH 10; Mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 2.0 x 10-4 g/L | Wai hoʻopaʻa ʻole pH 7.00; Mahana: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 2.4 x 10-7 mol/L | Mahana: 25 °C | (1) ACD |
Molar Solubility | 5.6 x 10-5 mol/L | pH 1; Mahana: 25 °C | (1) ACD |
Molar Solubility | 7.0 x 10-6 mol/L | pH 2; Mahana: 25 °C | (1) ACD |
Waiwai | Waiwai | Kūlana | Puna |
Molar Solubility | 9.3 x 10-7 mol/L | pH 3; Mahana: 25 °C | (1) ACD |
Molar Solubility | 3.1 x 10-7 mol/L | pH 4; Mahana: 25 °C | (1) ACD |
Molar Solubility | 2.5 x 10-7 mol/L | pH 5; Mahana: 25 °C | (1) ACD |
Molar Solubility | 2.4 x 10-7 mol/L | pH 6; Mahana: 25 °C | (1) ACD |
Molar Solubility | 2.4 x 10-7 mol/L | pH 7; Mahana: 25 °C | (1) ACD |
Molar Solubility | 2.5 x 10-7 mol/L | pH 8; Mahana: 25 °C | (1) ACD |
Molar Solubility | 3.1 x 10-7 mol/L | pH 9; Mahana: 25 °C | (1) ACD |
Molar Solubility | 9.0 x 10-7 mol/L | pH 10; Mahana: 25 °C | (1) ACD |
Molar Solubility | 2.4 x 10-7 mol/L | Wai hoʻopaʻa ʻole pH 7.00; Mahana: 25 °C | (1) ACD |
Kaumaha Molekala | 818.89 | ||
pKa | 9.55±0.10 | 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 | 21 | (1) ACD | |
H Ka poe e ae | 14 | (1) ACD | |
H Kokua | 1 | (1) ACD | |
H Hāʻawi/Acceptor Sum | 15 | (1) ACD | |
logP | 6.761±0.669 | Mahana: 25 °C | (1) ACD |
Kaumaha Molekala | 818.89 |
(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 | 164 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 |