C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)

huahana

C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)

ʻIke kumu:


Huahana Huahana

Huahana Huahana

Mea kiko'ī

Helu Kakau CAS

110764-79-9

H335, H331, H319, H315, H311, H301+H311+H331, H301

Na Waiwai Kino Nui Waiwai   Kūlana
Kaumaha Molekala 760.81   -
pKa (Wanamua) 9.39±0.10   ʻO ka Mahaʻawaʻawa loa: 25 °C

Nā inoa ʻē aʻe a me nā mea ʻike

KAONIKA SMILES

N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)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](OC)[C@@ H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC) C=C4)C5=CC=CC =C5

InChI

InChI= 1S/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7) 43-24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5) )19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,36-38H,11,25-26H2 ,1-7H3,

(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1

InChI Ki

UVUOJOLPNDCIHL-XKZJCBTISA-N

1 inoa ʻē aʻe no kēia mea

Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)

Loaʻa ka Spectra

Mass

Waiwai wānana

Loaʻa nā waiwai
olaola
Kemika
Lipinski
Hoʻonohonoho pili

olaola

Waiwai Waiwai Kūlana Puna
ʻO ke kumu bioconcentration 254 pH 1;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 2050 pH 2;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 15400 pH 3;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 46000 pH 4;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 57500 pH 5;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 58900 pH 6;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 58900 pH 7;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 56800 pH 8;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 42300 pH 9;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 12200 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)

Kemika

Waiwai Waiwai Kūlana Puna
Koc 389 pH 1;Mahana: 25 °C (1) ACD
Koc 3140 pH 2;Mahana: 25 °C (1) ACD
Koc 23600 pH 3;Mahana: 25 °C (1) ACD
Koc 70500 pH 4;Mahana: 25 °C (1) ACD
Koc 88100 pH 5;Mahana: 25 °C (1) ACD
Koc 90300 pH 6;Mahana: 25 °C (1) ACD
Koc 90200 pH 7;Mahana: 25 °C (1) ACD
Koc 87100 pH 8;Mahana: 25 °C (1) ACD
Koc 64800 pH 9;Mahana: 25 °C (1) ACD
Koc 18700 pH 10;Mahana: 25 °C (1) ACD

 

Waiwai Waiwai Kūlana Puna
logD 4.21 pH 1;Mahana: 25 °C (1) ACD
logD 5.12 pH 2;Mahana: 25 °C (1) ACD
logD 6.00 pH 3;Mahana: 25 °C (1) ACD
logD 6.47 pH 4;Mahana: 25 °C (1) ACD
logD 6.57 pH 5;Mahana: 25 °C (1) ACD
logD 6.58 pH 6;Mahana: 25 °C (1) ACD
logD 6.58 pH 7;Mahana: 25 °C (1) ACD
logD 6.56 pH 8;Mahana: 25 °C (1) ACD
logD 6.44 pH 9;Mahana: 25 °C (1) ACD
logD 5.90 pH 10;Mahana: 25 °C (1) ACD
logP 6.581±0.646 Mahana: 25 °C (1) ACD
Hoʻoheheʻe i loko o ka nui 8.4 x 10-5 g/L Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 0.019 g/L pH 1;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 2.4 x 10-3 g/L pH 2;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.1 x 10-4 g/L pH 3;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 1.1 x 10-4 g/L pH 4;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 8.4 x 10-5 g/L pH 5;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 8.4 x 10-5 g/L pH 6;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 8.4 x 10-5 g/L pH 7;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 8.4 x 10-5 g/L pH 8;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 1.1 x 10-4 g/L pH 9;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 4.0 x 10-4 g/L pH 10;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 8.4 x 10-5 g/L Wai hoʻopaʻa ʻole pH 7.00;Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 1.1 x 10-7 mol/L Mahana: 25 °C (1) ACD
Molar Solubility 2.5 x 10-5 mol/L pH 1;Mahana: 25 °C (1) ACD
Molar Solubility 3.1 x 10-6 mol/L pH 2;Mahana: 25 °C (1) ACD
Molar Solubility 4.1 x 10-7 mol/L pH 3;Mahana: 25 °C (1) ACD
Molar Solubility 1.4 x 10-7 mol/L pH 4;Mahana: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 5;Mahana: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 6;Mahana: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 7;Mahana: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 8;Mahana: 25 °C (1) ACD

 

Waiwai Waiwai Kūlana Puna
Molar Solubility 1.5 x 10-7 mol/L pH 9;Mahana: 25 °C (1) ACD
Molar Solubility 5.2 x 10-7 mol/L pH 10;Mahana: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L Wai hoʻopaʻa ʻole pH 7.00;Mahana: 25 °C (1) ACD
Kaumaha Molekala 760.81    
pKa 9.39±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)

Lipinski

Waiwai Waiwai Kūlana Puna
Nā Paʻa Hoʻololi Kūʻokoʻa 18   (1) ACD
H Ka poe e ae 13   (1) ACD
H Kokua 1   (1) ACD
H Hāʻawi/Acceptor Sum 14   (1) ACD
logP 6.581±0.646 Mahana: 25 °C (1) ACD
Kaumaha Molekala 760.81    

(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Hoʻonohonoho pili

Waiwai Waiwai Kumu Kūlana
Wahi Polar 155 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

Code ʻŌlelo Hazard Puna
H335 Hiki ke hoʻoulu i ka hanu Hoʻoponopono ʻia ka loea
H331 ʻAʻawa inā inhaled Hoʻoponopono ʻia ka loea
H319 Hoʻopilikia koʻikoʻi ka maka Hoʻoponopono ʻia ka loea
H315 Hoʻopilikia i ka ʻili Hoʻoponopono ʻia ka loea

 

Code ʻŌlelo Hazard Puna
H311 ʻona i ka pili ʻana me ka ʻili Hoʻoponopono ʻia ka loea
H301+H311+H331 Hiki ke ale ʻia, pili me ka ʻili a i ʻole ka inhaled Hoʻoponopono ʻia ka loea
H301 Hiki ke ale ʻia Hoʻoponopono ʻia ka loea

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