C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)

huahana

C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)

ʻIke kumu:


Huahana Huahana

Huahana Huahana

Nā waiwai kino

Na Waiwai Kino Nui Waiwai Kūlana
Kaumaha Molekala 617.69 -
Lae paila (Wanamua) 762.6±70.0 °C Paʻi: 760 Torr
ʻAiʻa (Wanamua) 1.27±0.1 g/cm3 Ka mahana: 20 °C;Paʻi: 760 Torr
pKa (Wanamua) 13.31±0.70 ʻO ka Mahaʻawaʻawa loa: 25 °C

Nā inoa ʻē aʻe a me nā mea ʻike

Canonical SMILES O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
ʻIsomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32) 21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24)25-12-16-27(42-4) )17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-, 32-/m1/s1
InChI Ki
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Na inoa e ae no keia mea
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI);11: PN: US20030170636 PAGE: 17 i koi iā RNA;12: PN: US20030211606 PAGE: 18 i koi iā R NA;12: PN: US20030212017 PAGE: 19 i koi iā R NA;14: PN: US20040005569 PAG E: 21 koi ʻia ʻo R NA;15: PN: US20040005565 PAGE: 17- 22 i koi ʻia ʻo RNA;15: PN: US20040005570 PAGE: 19 i koi iā R NA;15: PN: U S20040006030 PAGE: 22 i koi ʻia ʻo R NA;15: PN: US20040014048 PAGE: 19 i koi ʻia ʻo R NA;16: PN: US20030171313 PAGE: 9 i koi ʻia ʻo RNA;16: PN: US20030198965 PAGE: 19 i koi iā R NA;16: PN: US20040014047 PAGE: 19 i koi ʻia ʻo R NA;16: PN: US20040014049 PAGE:

19 i koi iā RNA;17: PN: US20040014051 PAGE: 21 koi ʻia ʻo R NA;17: PN: US20040014699 PAGE: 19 i koi ʻia ʻo R NA;17: PN: W
O03106645 PAGE: 69 koi R NA;18: PN: US20040006029 PAGE: 22 i koi ʻia ʻo R NA;2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine;58: PN: US20030166592 PAGE: 15 i koi ʻia ʻo R NA;5: PN: WO2005006958 PAGE: 61 koi ʻia ʻo R NA;7: PN: WO20050 07825 PAGE: 61 koi ʻia ʻo R NA;82: PN: US20040171566 PAGE: 18 i koi ʻia ʻo R NA;89: PN: US20040005707 PAGE: 19 i koi ʻia ʻo R NA;9: PN: WO03084478 PAGE: 56 koi ʻia ʻo R NA

Waiwai wānana

Loaʻa nā waiwai
olaola
Kemika
ʻO ka mānoanoa
Lipinski
Hoʻonohonoho pili
Māmā

olaola

Waiwai Waiwai Kūlana Puna
ʻO ke kumu bioconcentration 1.56 pH 1;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 1.99 pH 2;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 6.19 pH 3;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 38.0 pH 4;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 116 pH 5;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 146 pH 6;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 150 pH 7;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 151 pH 8;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 151 pH 9;Mahana: 25 °C (1) ACD
ʻO ke kumu bioconcentration 151 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 13.0 pH 1;Mahana: 25 °C (1) ACD
Koc 16.6 pH 2;Mahana: 25 °C (1) ACD
Koc 51.8 pH 3;Mahana: 25 °C (1) ACD
Koc 318 pH 4;Mahana: 25 °C (1) ACD
Koc 966 pH 5;Mahana: 25 °C (1) ACD
Koc 1220 pH 6;Mahana: 25 °C (1) ACD
Koc 1260 pH 7;Mahana: 25 °C (1) ACD

 

Waiwai Waiwai Kūlana Puna
Koc 1260 pH 8;Mahana: 25 °C (1) ACD
Koc 1260 pH 9;Mahana: 25 °C (1) ACD
Koc 1260 pH 10;Mahana: 25 °C (1) ACD
logD 1.18 pH 1;Mahana: 25 °C (1) ACD
logD 1.29 pH 2;Mahana: 25 °C (1) ACD
logD 1.78 pH 3;Mahana: 25 °C (1) ACD
logD 2.57 pH 4;Mahana: 25 °C (1) ACD
logD 3.05 pH 5;Mahana: 25 °C (1) ACD
logD 3.16 pH 6;Mahana: 25 °C (1) ACD
logD 3.17 pH 7;Mahana: 25 °C (1) ACD
logD 3.17 pH 8;Mahana: 25 °C (1) ACD
logD 3.17 pH 9;Mahana: 25 °C (1) ACD
logD 3.17 pH 10;Mahana: 25 °C (1) ACD
logP 3.169±0.598 Mahana: 25 °C (1) ACD
Hoʻoheheʻe i loko o ka nui 5.2 x 10-3 g/L Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 0.51 g/L pH 1;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 0.40 g/L pH 2;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 0.13 g/L pH 3;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 0.020 g/L pH 4;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 6.8 x 10-3 g/L pH 5;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 5.4 x 10-3 g/L pH 6;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 5.3 x 10-3 g/L pH 7;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 5.2 x 10-3 g/L pH 8;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 5.2 x 10-3 g/L pH 9;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 5.2 x 10-3 g/L pH 10;Mahana: 25 °C (1) ACD
Ka hoʻoheheʻe nui 5.3 x 10-3 g/L Wai hoʻopaʻa ʻole pH 7.05;Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 8.4 x 10-6 mol/L Mahana: 25 °C (1) ACD
Molar Solubility 8.2 x 10-4 mol/L pH 1;Mahana: 25 °C (1) ACD
Molar Solubility 6.4 x 10-4 mol/L pH 2;Mahana: 25 °C (1) ACD
Molar Solubility 2.1 x 10-4 mol/L pH 3;Mahana: 25 °C (1) ACD
Molar Solubility 3.3 x 10-5 mol/L pH 4;Mahana: 25 °C (1) ACD
Molar Solubility 1.1 x 10-5 mol/L pH 5;Mahana: 25 °C (1) ACD

 

Waiwai Waiwai Kūlana Puna
Molar Solubility 8.7 x 10-6 mol/L pH 6;Mahana: 25 °C (1) ACD
Molar Solubility 8.5 x 10-6 mol/L pH 7;Mahana: 25 °C (1) ACD
Molar Solubility 8.4 x 10-6 mol/L pH 8;Mahana: 25 °C (1) ACD
Molar Solubility 8.4 x 10-6 mol/L pH 9;Mahana: 25 °C (1) ACD
Molar Solubility 8.4 x 10-6 mol/L pH 10;Mahana: 25 °C (1) ACD
Molar Solubility 8.5 x 10-6 mol/L Wai hoʻopaʻa ʻole pH 7.05;Mahana: 25 °C (1) ACD
Kaumaha Molekala 617.69    
pKa 13.31±0.70 ʻO ka Mahaʻawaʻawa loa: 25 °C (1) ACD
pKa 4.58±0.10 ʻO ka mahana kumu loa: 25 °C (1) ACD
ʻO ke kaomi mahu 1.89 x 10-24 Torr 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)

ʻO ka mānoanoa

Waiwai Waiwai Kūlana Puna
ʻO ka mānoanoa 1.27±0.1 g/cm3 Ka mahana: 20 °C;Paʻi: 760 Torr (1) ACD
Mola Volume 483.8±7.0 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 14   (1) ACD
H Ka poe e ae 11   (1) ACD
H Kokua 3   (1) ACD
H Hāʻawi/Acceptor Sum 14   (1) ACD
logP 3.169±0.598 Mahana: 25 °C (1) ACD
Kaumaha Molekala 617.69    

(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 134 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)

Māmā

Waiwai Waiwai Kūlana Puna
Lae paila 762.6±70.0 °C Paʻi: 760 Torr (1) ACD
Enthalpy of Vaporization 116.53±3.0 kJ/mol Paʻi: 760 Torr (1) ACD
Lae Flash 415.0±35.7 °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)

Huakaʻi Spectra

Loaʻa ka Spectra
1H NMR
13C NMR


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