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)
Helu Kakau CAS
251647-55-9
H302
Na Waiwai Kino Nui | Waiwai | Kūlana |
Kaumaha Molekala | 914.00 | - |
pKa (Wanamua) | 9.16±0.20 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
KAONIKA SMILES
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6) 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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C (OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI= 1S/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27-26- 57-7)40(64-65(62-25-13-24-48)54( 31(3)4)32(5)6)38(63-45)28-61-47(33-14-11-10-12-15-33,34-16-20-3 6(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10-12,14-23,29-32,38 ,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56)/t38-,40-,41-,45-,65?/m1/s1
InChI Ki
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Nā inoa ʻē aʻe no kēia mea
Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1- methylethyl)phosphoramidi] (9CI); 17: PN: US20030212017 PAGE: 20 i koi ʻia ke kaʻina; 18: PN: US20030211606 PAGE: 20
kaʻina i koi ʻia; 19: PN: US20040005569 ʻAoʻao: 22 i koi ʻia ke kaʻina; 21: PN: US20040006030 ʻAoʻao: 23 i koi ʻia ke kaʻina; 21: PN: US20040014047 ʻAoʻao: 21 i koi ʻia ke kaʻina; 21: PN: US20040014049 PAGE: 21 i koi ʻia ke kaʻina; 22: PN: US20030198965 PAG
E: 20 kaʻina i koi ʻia; 22: PN: US20040005570 ʻAoʻao: 21 i koi ʻia ke kaʻina; 22: PN: US20040014048 ʻAoʻao: 21 i koi ʻia ke kaʻina;
22: PN: US20040014050 ʻAoʻao: 21 i koi ʻia ke kaʻina; 23: PN: US20040005565 ʻAoʻao: 17- 22 ka ʻōlelo i koi ʻia; 23: PN: US20040
014051 PAGE: 23 i koi ʻia ke kaʻina; 24: PN: US20040014699 ʻAoʻao: 21 i koi ʻia ke kaʻina; 25: PN: US20040006029 ʻAoʻao: 23 i koi ʻia ke kaʻina; 25: PN: WO03106645 ʻAoʻao: 73 i koi ʻia ke kaʻina; 96: PN: US20040005707 ʻAoʻao: 21 i ʻōlelo ʻia.
Loaʻa ka Spectra
13 C NMR
Hetero NMR
Loaʻa nā waiwai
olaola
Kemika
Lipinski
Kapili Pili
Waiwai | Waiwai | Kūlana | Puna |
ʻO ke kumu bioconcentration | 121 | pH 1; Ka mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 2580 | pH 2; Ka mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 23500 | pH 3; Ka mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 71800 | pH 4; Ka mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 89800 | pH 5; Ka mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 92100 | pH 6; Ka mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 91300 | pH 7; Ka mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 82500 | pH 8; Ka mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 42200 | pH 9; Ka mahana: 25 °C | (1) ACD |
ʻO ke kumu bioconcentration | 7860 | pH 10; Ka 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 | 164 | pH 1; Ka mahana: 25 °C | (1) ACD |
Koc | 3480 | pH 2; Ka mahana: 25 °C | (1) ACD |
Koc | 31700 | pH 3; Ka mahana: 25 °C | (1) ACD |
Koc | 96900 | pH 4; Ka mahana: 25 °C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Ka mahana: 25 °C | (1) ACD |
Waiwai | Waiwai | Kūlana | Puna |
Koc | 1.24 x 105 | pH 6; Ka mahana: 25 °C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Ka mahana: 25 °C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Ka mahana: 25 °C | (1) ACD |
Koc | 56900 | pH 9; Ka mahana: 25 °C | (1) ACD |
Koc | 10600 | pH 10; Ka mahana: 25 °C | (1) ACD |
logD | 3.95 | pH 1; Ka mahana: 25 °C | (1) ACD |
logD | 5.28 | pH 2; Ka mahana: 25 °C | (1) ACD |
logD | 6.24 | pH 3; Ka mahana: 25 °C | (1) ACD |
logD | 6.73 | pH 4; Ka mahana: 25 °C | (1) ACD |
logD | 6.82 | pH 5; Ka mahana: 25 °C | (1) ACD |
logD | 6.83 | pH 6; Ka mahana: 25 °C | (1) ACD |
logD | 6.83 | pH 7; Ka mahana: 25 °C | (1) ACD |
logD | 6.79 | pH 8; Ka mahana: 25 °C | (1) ACD |
logD | 6.50 | pH 9; Ka mahana: 25 °C | (1) ACD |
logD | 5.77 | pH 10; Ka mahana: 25 °C | (1) ACD |
logP | 6.837±0.764 | Ka mahana: 25 °C | (1) ACD |
Hoʻoheheʻe i loko o ka nui | 4.4 x 10-4 g/L | Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 0.34 g/L | pH 1; Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 0.016 g/L | pH 2; Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 1.7 x 10-3 g/L | pH 3; Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 5.7 x 10-4 g/L | pH 4; Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 4.6 x 10-4 g/L | pH 5; Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 4.4 x 10-4 g/L | pH 6; Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 4.5 x 10-4 g/L | pH 7; Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 4.9 x 10-4 g/L | pH 8; Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 1.0 x 10-3 g/L | pH 9; Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 5.2 x 10-3 g/L | pH 10; Ka mahana: 25 °C | (1) ACD |
Ka hoʻoheheʻe nui | 4.5 x 10-4 g/L | Wai hoʻopaʻa ʻole pH 6.99; Ka mahana: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 4.8 x 10-7 mol/L | Ka mahana: 25 °C | (1) ACD |
Molar Solubility | 3.7 x 10-4 mol/L | pH 1; Ka mahana: 25 °C | (1) ACD |
Molar Solubility | 1.7 x 10-5 mol/L | pH 2; Ka mahana: 25 °C | (1) ACD |
Molar Solubility | 1.9 x 10-6 mol/L | pH 3; Ka mahana: 25 °C | (1) ACD |
Waiwai | Waiwai | Kūlana | Puna |
Molar Solubility | 6.2 x 10-7 mol/L | pH 4; Ka mahana: 25 °C | (1) ACD |
Molar Solubility | 5.0 x 10-7 mol/L | pH 5; Ka mahana: 25 °C | (1) ACD |
Molar Solubility | 4.8 x 10-7 mol/L | pH 6; Ka mahana: 25 °C | (1) ACD |
Molar Solubility | 4.9 x 10-7 mol/L | pH 7; Ka mahana: 25 °C | (1) ACD |
Molar Solubility | 5.4 x 10-7 mol/L | pH 8; Ka mahana: 25 °C | (1) ACD |
Molar Solubility | 1.1 x 10-6 mol/L | pH 9; Ka mahana: 25 °C | (1) ACD |
Molar Solubility | 5.7 x 10-6 mol/L | pH 10; Ka mahana: 25 °C | (1) ACD |
Molar Solubility | 4.9 x 10-7 mol/L | Wai hoʻopaʻa ʻole pH 6.99; Ka mahana: 25 °C | (1) ACD |
Kaumaha Molekala | 914.00 | ||
pKa | 9.16±0.20 | 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 | 22 | (1) ACD | |
H Ka poe e ae | 17 | (1) ACD | |
H Na kokua | 2 | (1) ACD | |
H Hāʻawi/Acceptor Sum | 19 | (1) ACD | |
logP | 6.837±0.764 | Ka mahana: 25 °C | (1) ACD |
Kaumaha Molekala | 914.00 |
(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 | 203 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 |