C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI )

huahana

C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI )

ʻIke kumu:


Huahana Huahana

Huahana Huahana

Mea kiko'ī

Helu Kakau CAS

146954-75-8

Na Waiwai Kino Nui Waiwai Kūlana
Kaumaha Molekala 748.78 -
pKa (Wanamua) 9.39±0.10 ʻO ka Mahaʻawaʻawa loa: 25 °C

Nā inoa a me nā mea ʻike ʻē aʻe

KANAKA MANAKA

N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= O)NC5=O)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](F)[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/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43- 23-21-34(45)42-38(43)46)25-49-39(28-11 -8-7-9-12-28,29-13-17-31(47-5)18- 14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1- 6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1

InChI Ki

HQHQPAYRJJMYQX-DJTPZYMWSA-N

1 inoa ʻē aʻe no kēia mea

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

Loaʻa nā waiwai
olaola
Kemika
Lipinski
Kapili Pili

olaola

Waiwai Waiwai Kūlana Puna
ʻO ke kumu bioconcentration 457 pH 1; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 3690 pH 2; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 27700 pH 3; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 82900 pH 4; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.04 x 105 pH 5; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.06 x 105 pH 6; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.06 x 105 pH 7; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.02 x 105 pH 8; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 76200 pH 9; Maha: 25 °C (1) ACD
ʻO ke kumu bioconcentration 22000 pH 10; Maha: 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

Punawai Kūlana Waiwai
Koc 592 pH 1; Mahana: 25 °C (1) ACD
Koc 4790 pH 2; Mahana: 25 °C (1) ACD
Koc 36000 pH 3; Mahana: 25 °C (1) ACD
Koc 1.07 x 105 pH 4; Mahana: 25 °C (1) ACD
Koc 1.34 x 105 pH 5; Mahana: 25 °C (1) ACD
Koc 1.38 x 105 pH 6; Mahana: 25 °C (1) ACD
Koc 1.37 x 105 pH 7; Mahana: 25 °C (1) ACD
Koc 1.33 x 105 pH 8; Mahana: 25 °C (1) ACD
Koc 98800 pH 9; Mahana: 25 °C (1) ACD
Koc 28600 pH 10; Maha: 25 °C (1) ACD
logD 4.55 pH 1; Mahana: 25 °C (1) ACD
logD 5.46 pH 2; Mahana: 25 °C (1) ACD
logD 6.33 pH 3; Mahana: 25 °C (1) ACD

 

Waiwai Waiwai Kūlana Puna
logD 6.81 pH 4; Maha: 25 °C (1) ACD
logD 6.91 pH 5; Maha: 25 °C (1) ACD
logD 6.92 pH 6; Maha: 25 °C (1) ACD
logD 6.92 pH 7; Maha: 25 °C (1) ACD
logD 6.90 pH 8; Maha: 25 °C (1) ACD
logD 6.77 pH 9; Maha: 25 °C (1) ACD
logD 6.23 pH 10; Maha: 25 °C (1) ACD
logP 6.918±0.641 Maha: 25 °C (1) ACD
Hoʻoheheʻe i loko o ka nui 2.2 x 10-5 g/L Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 5.1 x 10-3 g/L pH 1; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 6.3 x 10-4 g/L pH 2; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 8.2 x 10-5 g/L pH 3; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 2.8 x 10-5 g/L pH 4; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 2.2 x 10-5 g/L pH 5; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 2.2 x 10-5 g/L pH 6; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 2.2 x 10-5 g/L pH 7; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 2.2 x 10-5 g/L pH 8; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.0 x 10-5 g/L pH 9; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 1.0 x 10-4 g/L pH 10; Maha: 25 °C (1) ACD
Ka hoʻoheheʻe nui 2.2 x 10-5 g/L Wai hoʻopaʻa ʻole pH 7.00; Maha: 25 °C (1) ACD
Molar Intrinsic Solubility 2.9 x 10-8 mol/L Maha: 25 °C (1) ACD
Molar Solubility 6.8 x 10-6 mol/L pH 1; Maha: 25 °C (1) ACD
Molar Solubility 8.4 x 10-7 mol/L pH 2; Maha: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 3; Maha: 25 °C (1) ACD
Molar Solubility 3.7 x 10-8 mol/L pH 4; Maha: 25 °C (1) ACD
Molar Solubility 3.0 x 10-8 mol/L pH 5; Maha: 25 °C (1) ACD
Molar Solubility 2.9 x 10-8 mol/L pH 6; Maha: 25 °C (1) ACD
Molar Solubility 2.9 x 10-8 mol/L pH 7; Maha: 25 °C (1) ACD
Molar Solubility 3.0 x 10-8 mol/L pH 8; Maha: 25 °C (1) ACD
Molar Solubility 4.0 x 10-8 mol/L pH 9; Maha: 25 °C (1) ACD
Molar Solubility 1.4 x 10-7 mol/L pH 10; Maha: 25 °C (1) ACD
Molar Solubility 2.9 x 10-8 mol/L Wai hoʻopaʻa ʻole pH 7.00; Maha: 25 °C (1) ACD

 

Waiwai Waiwai Kūlana Puna
Kaumaha Molekala 748.78    
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 17   (1) ACD
H Ka poe e ae 12   (1) ACD
H Kokua 1   (1) ACD
H Hāʻawi/Acceptor Sum 13   (1) ACD
logP 6.918±0.641 Maha: 25 °C (1) ACD
Kaumaha Molekala 748.78    

(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 145 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)


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