C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)phosphor amidite] (ACI)

produkto

C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)phosphor amidite] (ACI)

Pangunahing Impormasyon:


Detalye ng Produkto

Mga Tag ng Produkto

Detalye ng sangkap

CAS Registry Number

163878-63-5

H302

Pangunahing Pisikal na Katangian Halaga Kundisyon
Molekular na Timbang 818.89 -
pKa (Hula) 9.55±0.10 Pinakamaasim na Temp: 25 °C

Iba pang Pangalan at Identifier

Canonical SMILES

N#CCCOP(OC1C(OC(N2C=C(C(=O))NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5= CC=C(OC)C=C5)N(C(C)C)C(C)C

Isomeric SMILES

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5

InChI

InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25- 50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21 -36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1

Susi ng InChI

YFRRKZDUDXHJNC-KZQAAKLLSA-N

17 Iba pang Pangalan para sa Substansyang ito

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

amidite] (9CI); 10: PN: US20030212017 PAGE: 18 inaangkin na RNA; 11: PN: US20030211606 PAGE: 18 inaangkin na RNA; 13: PN: US20040

005569 PAGE: 21 inaangkin na RNA; 13: PN: US20040006030 PAGE: 22 inaangkin na RNA; 13: PN: US20040014048 PAGE: 19 na inaangkin na RNA; 13: PN: US20040014049 PAGE: 19 na inaangkin na RNA; 14: PN: US20030198965 PAGE: 19 na inaangkin na RNA; 14: PN: US20040005565 PAGE: 17- 22 inaangkin na RNA; 14: PN: US20040005570 PAGE: 19 na inaangkin na RNA; 14: PN: US20040014047 PAGE: 19 na inaangkin na RNA; 14: PN: US20040

014699 PAGE: 19 ang nag-claim ng RNA; 15: PN: US20040014050 PAGE: 19 na inaangkin na RNA; 15: PN: US20040014051 PAGE: 21 inaangkin na RNA; 15:

PN: WO03106645 PAGE: 69 inaangkin na RNA; 16: PN: US20040006029 PAGE: 22 inaangkin na RNA; 87: PN: US20040005707 PAGE: 19 na inaangkin na RNA

Eksperimental na Spectra

Available ang spectra
1 H NMR
13 C NMR
Hetero NMR

Mga Hinulaang Katangian

Available ang mga property
Biyolohikal
Kemikal
Lipinski
Kaugnay na Istruktura

Biyolohikal

Ari-arian Halaga Kundisyon Pinagmulan
Salik ng Bioconcentration 348 pH 1; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 2810 pH 2; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 21100 pH 3; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 63100 pH 4; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 78800 pH 5; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 80800 pH 6; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 80800 pH 7; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 78800 pH 8; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 63400 pH 9; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 21800 pH 10; Temp: 25 °C (1) ACD

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kemikal

Ari-arian Halaga Kundisyon Pinagmulan
Sinabi ni Koc 487 pH 1; Temp: 25 °C (1) ACD
Sinabi ni Koc 3940 pH 2; Temp: 25 °C (1) ACD
Sinabi ni Koc 29600 pH 3; Temp: 25 °C (1) ACD
Sinabi ni Koc 88400 pH 4; Temp: 25 °C (1) ACD

 

Ari-arian Halaga Kundisyon Pinagmulan
Sinabi ni Koc 1.10 x 105 pH 5; Temp: 25 °C (1) ACD
Sinabi ni Koc 1.13 x 105 pH 6; Temp: 25 °C (1) ACD
Sinabi ni Koc 1.13 x 105 pH 7; Temp: 25 °C (1) ACD
Sinabi ni Koc 1.10 x 105 pH 8; Temp: 25 °C (1) ACD
Sinabi ni Koc 88800 pH 9; Temp: 25 °C (1) ACD
Sinabi ni Koc 30600 pH 10; Temp: 25 °C (1) ACD
talaD 4.39 pH 1; Temp: 25 °C (1) ACD
talaD 5.30 pH 2; Temp: 25 °C (1) ACD
talaD 6.18 pH 3; Temp: 25 °C (1) ACD
talaD 6.65 pH 4; Temp: 25 °C (1) ACD
talaD 6.75 pH 5; Temp: 25 °C (1) ACD
talaD 6.76 pH 6; Temp: 25 °C (1) ACD
talaD 6.76 pH 7; Temp: 25 °C (1) ACD
talaD 6.75 pH 8; Temp: 25 °C (1) ACD
talaD 6.65 pH 9; Temp: 25 °C (1) ACD
talaD 6.19 pH 10; Temp: 25 °C (1) ACD
logP 6.761±0.669 Temp: 25 °C (1) ACD
Mass Intrinsic Solubility 2.0 x 10-4 g/L Temp: 25 °C (1) ACD
Mass Solubility 0.046 g/L pH 1; Temp: 25 °C (1) ACD
Mass Solubility 5.7 x 10-3 g/L pH 2; Temp: 25 °C (1) ACD
Mass Solubility 7.6 x 10-4 g/L pH 3; Temp: 25 °C (1) ACD
Mass Solubility 2.5 x 10-4 g/L pH 4; Temp: 25 °C (1) ACD
Mass Solubility 2.0 x 10-4 g/L pH 5; Temp: 25 °C (1) ACD
Mass Solubility 2.0 x 10-4 g/L pH 6; Temp: 25 °C (1) ACD
Mass Solubility 2.0 x 10-4 g/L pH 7; Temp: 25 °C (1) ACD
Mass Solubility 2.0 x 10-4 g/L pH 8; Temp: 25 °C (1) ACD
Mass Solubility 2.5 x 10-4 g/L pH 9; Temp: 25 °C (1) ACD
Mass Solubility 7.4 x 10-4 g/L pH 10; Temp: 25 °C (1) ACD
Mass Solubility 2.0 x 10-4 g/L Unbuffered Water pH 7.00; Temp: 25 °C (1) ACD
Molar Intrinsic Solubility 2.4 x 10-7 mol/L Temp: 25 °C (1) ACD
Molar Solubility 5.6 x 10-5 mol/L pH 1; Temp: 25 °C (1) ACD
Molar Solubility 7.0 x 10-6 mol/L pH 2; Temp: 25 °C (1) ACD

 

Ari-arian Halaga Kundisyon Pinagmulan
Molar Solubility 9.3 x 10-7 mol/L pH 3; Temp: 25 °C (1) ACD
Molar Solubility 3.1 x 10-7 mol/L pH 4; Temp: 25 °C (1) ACD
Molar Solubility 2.5 x 10-7 mol/L pH 5; Temp: 25 °C (1) ACD
Molar Solubility 2.4 x 10-7 mol/L pH 6; Temp: 25 °C (1) ACD
Molar Solubility 2.4 x 10-7 mol/L pH 7; Temp: 25 °C (1) ACD
Molar Solubility 2.5 x 10-7 mol/L pH 8; Temp: 25 °C (1) ACD
Molar Solubility 3.1 x 10-7 mol/L pH 9; Temp: 25 °C (1) ACD
Molar Solubility 9.0 x 10-7 mol/L pH 10; Temp: 25 °C (1) ACD
Molar Solubility 2.4 x 10-7 mol/L Unbuffered Water pH 7.00; Temp: 25 °C (1) ACD
Molekular na Timbang 818.89    
pKa 9.55±0.10 Pinakamaasim na Temp: 25 °C (1) ACD
pKa 3.45±0.70 Karamihan sa Pangunahing Temp: 25 °C (1) ACD

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ari-arian Halaga Kundisyon Pinagmulan
Mga Malayang Naiikot na Bono 21   (1) ACD
H Mga Tatanggap 14   (1) ACD
H Mga Donor 1   (1) ACD
H Donor/Acceptor Sum 15   (1) ACD
logP 6.761±0.669 Temp: 25 °C (1) ACD
Molekular na Timbang 818.89    

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kaugnay na Istruktura

Ari-arian Halaga Pinagmulan ng Kondisyon
Polar Surface Area 164 A2 (1) ACD

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Hinulaang Spectra

Available ang spectra
1 H NMR
13 C NMR

Mga Pahayag ng Hazard ng GHS

Pinagmulan ng Pahayag ng Hazard ng Code
H302 Mapanganib kung nalunok Pag-uuri at Pag-label ng European Chemical Agency (ECHA).

Imbentaryo - Notified classification at labeling - pinakakaraniwang notification, European Chemical Agency (ECHA)

Imbentaryo ng Pag-uuri at Pag-label - Na-notify na pag-uuri at pag-label - pinakaseryosong mga abiso


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