C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)

huahana

C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)

ʻIke kumu:


Huahana Huahana

Huahana Huahana

Nā waiwai kino

Na Waiwai Kino Nui Waiwai Kūlana
Kaumaha Molekala 546.57 -
Lae hehee (Hoʻokolohua) 111-112 °C Solvent: Ethyl acetate
ʻAiʻa (Wanamua) 1.343±0.06 g/cm3 Ka mahana: 20 °C;Paʻi: 760 Torr
pKa (Wanamua) 9.39±0.10 ʻO ka Mahaʻawaʻawa loa: 25 °C

Nā inoa ʻē aʻe a me nā mea ʻike

Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2O
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)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/C30H30N2O8/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38- 2)15-11-21)39-18-24-26(34)27(35)28(40-24)32-
17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26 -,27-,28-/m1/s1
InChI Ki
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Nā inoa ʻē aʻe no kēia mea
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]uridine (ACI);Uridine, 5′-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI);5′-Dimethoxytriyl uridine;5′-O-(4,4′-Dimethoxytriyl)uridine

Na Waiwai Hoao

Loaʻa nā waiwai
Māmā

Māmā

Waiwai Waiwai Kūlana

Puna

Lae hehee 122-123 °C    

(1) CAS

Lae hehee 111-112 °C Mea hoʻoheheʻe: Ethyl acetate

(2) CAS

Lae hehee E nana i ke kikokikona piha    

(3) CAS

(1) Zekri, Negar;Bulletin of the Chemical Society of Ethiopia, (2010), 24(2), 299-304, CAplus

(2) Patil, Premanand Ramrao;Ka Nūpepa o Carbohydrate Chemistry, (2008), 27(5), 279-293, CAplus

(3) Khalafi-Nezhad, Ali;Nā leka Tetrahedron, (2004), 45(36), 6737-6739, CAplus

Spectra hoʻokolohua

Loaʻa ka Spectra
1H NMR
13C NMR
Mass

Waiwai wānana

Loaʻa nā waiwai
olaola
Kemika
ʻO ka mānoanoa
Lipinski
Hoʻonohonoho pili

olaola

Waiwai Waiwai Kūlana Puna
ʻO ke kumu bioconcentration 904 pH 1;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 904 pH 2;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 904 pH 3;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 904 pH 4;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 904 pH 5;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 904 pH 6;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 900 pH 7;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 861 pH 8;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 602 pH 9;Mahana: 25 °C (1) ACD

 

Waiwai Waiwai Kūlana Puna
ʻO ke kumu bioconcentration 156 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 4550 pH 1;Mahana: 25 °C (1) ACD
Koc 4550 pH 2;Mahana: 25 °C (1) ACD
Koc 4550 pH 3;Mahana: 25 °C (1) ACD
Koc 4550 pH 4;Mahana: 25 °C (1) ACD
Koc 4550 pH 5;Mahana: 25 °C (1) ACD
Koc 4540 pH 6;Mahana: 25 °C (1) ACD
Koc 4520 pH 7;Mahana: 25 °C (1) ACD
Koc 4330 pH 8;Mahana: 25 °C (1) ACD
Koc 3030 pH 9;Mahana: 25 °C (1) ACD
Koc 785 pH 10;Mahana: 25 °C (1) ACD
logD 4.19 pH 1;Mahana: 25 °C (1) ACD
logD 4.19 pH 2;Mahana: 25 °C (1) ACD
logD 4.19 pH 3;Mahana: 25 °C (1) ACD
logD 4.19 pH 4;Mahana: 25 °C (1) ACD
logD 4.19 pH 5;Mahana: 25 °C (1) ACD
logD 4.19 pH 6;Mahana: 25 °C (1) ACD
logD 4.19 pH 7;Mahana: 25 °C (1) ACD
logD 4.17 pH 8;Mahana: 25 °C (1) ACD
logD 4.02 pH 9;Mahana: 25 °C (1) ACD
logD 3.43 pH 10;Mahana: 25 °C (1) ACD
logP 4.192±0.628 Mahana: 25 °C (1) ACD
Hoʻoheheʻe i loko o ka nui 3.2 x 10-4 g/L Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.2 x 10-4 g/L pH 1;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.2 x 10-4 g/L pH 2;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.2 x 10-4 g/L pH 3;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.2 x 10-4 g/L pH 4;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.2 x 10-4 g/L pH 5;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.2 x 10-4 g/L pH 6;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.2 x 10-4 g/L pH 7;Mahana: 25 °C (1) ACD

 

Waiwai Waiwai Kūlana Puna
Ka hoʻoheheʻe nui 3.3 x 10-4 g/L pH 8;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 4.8 x 10-4 g/L pH 9;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 1.9 x 10-3 g/L pH 10;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 3.2 x 10-4 g/L Wai hoʻopaʻa ʻole pH 6.99;Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 5.8 x 10-7 mol/L Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 1;Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 2;Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 3;Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 4;Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 5;Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 6;Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 7;Mahana: 25 °C (1) ACD
Molar Solubility 6.1 x 10-7 mol/L pH 8;Mahana: 25 °C (1) ACD
Molar Solubility 8.7 x 10-7 mol/L pH 9;Mahana: 25 °C (1) ACD
Molar Solubility 3.4 x 10-6 mol/L pH 10;Mahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L Wai hoʻopaʻa ʻole pH 6.99;Mahana: 25 °C (1) ACD
Kaumaha Molekala 546.57    
pKa 9.39±0.10 ʻO ka Mahaʻawaʻawa 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)

ʻO ka mānoanoa

Waiwai Waiwai Kūlana Puna
ʻO ka mānoanoa 1.343±0.06 g/cm3 Ka mahana: 20 °C;Paʻi: 760 Torr (1) ACD
Mola Volume 406.9±3.0 knm3/mol Ka mahana: 20 °C;Paʻi: 760 Torr (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 11   (1) ACD
H Ka poe e ae 10   (1) ACD
H Kokua 3   (1) ACD
H Hāʻawi/Acceptor Sum 13   (1) ACD
logP 4.192±0.628 Mahana: 25 °C (1) ACD
 

 

Waiwai Waiwai

Kūlana

Puna
Kaumaha Molekala 546.57

(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

Kūlana

Puna
Wahi Polar 127 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
1H NMR
13C NMR


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