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)

huahana

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)

ʻIkepili kumu:


Huahana Huahana

Huahana Huahana

Mea kiko'ī

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

Nā inoa a me nā mea ʻike ʻē aʻe

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.

Spectra hoʻokolohua

Loaʻa ka Spectra
13 C NMR
Hetero NMR

Waiwai wānana

Loaʻa nā waiwai
olaola
Kemika
Lipinski
Kapili Pili

olaola

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)

Kemika

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)

Lipinski

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)

Kapili Pili

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)

Huakaʻi Spectra

Loaʻa ka Spectra
1 H NMR
13 C NMR

Nā ʻŌlelo Hoʻopilikia GHS

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


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