C43H55N4O10P uridine, 5 ′ -O- [bis (4-metoxýfenýl) fenýlmetýl] -2 ′ -O- (2-metox yethyl)-5-metýl-, 3 ′-[2-cyanoethyl n, n-bis (1-metýletýl) phosphor amidite] (ACI)

Vara

C43H55N4O10P uridine, 5 ′ -O- [bis (4-metoxýfenýl) fenýlmetýl] -2 ′ -O- (2-metox yethyl)-5-metýl-, 3 ′-[2-cyanoethyl n, n-bis (1-metýletýl) phosphor amidite] (ACI)

Grunnupplýsingar:


Vöruupplýsingar

Vörumerki

Efni smáatriði

CAS skrásetningarnúmer

163878-63-5

H302

Lykilatriði eðlisfræðilegra eiginleika Gildi Ástand
Mólmassa 818.89 -
PKA (spáð) 9,55 ± 0,10 Sýrtasta temp: 25 ° C

Önnur nöfn og auðkenni

Canonical bros

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.

Isomicer bros

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

Tommur

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

Inchi lykill

Yfrrkzdudxhjnc-kzqaakllsa-n

17 önnur nöfn fyrir þetta efni

Uridine, 5 ′ -O-[bis (4-metoxýfenýl) fenýlmetýl] -2 ′-O-(2-metoxýetýl)-5-metýl-, 3 ′-[2-cyanoethyl bis (1-metýl) fosfór

amidite] (9ci); 10: PN: US20030212017 Page: 18 krafist RNA; 11: PN: US20030211606 Page: 18 krafist RNA; 13: PN: US20040

005569 Bls: 21 krafðist RNA; 13: PN: US20040006030 Page: 22 krafist RNA; 13: PN: US20040014048 Page: 19 krafist RNA; 13: PN: US20040014049 Page: 19 krafist RNA; 14: PN: US20030198965 Page: 19 krafist RNA; 14: PN: US20040005565 Page: 17-22 Kröfur RNA; 14: PN: US20040005570 Page: 19 krafist RNA; 14: PN: US20040014047 Page: 19 krafist RNA; 14: PN: US20040

014699 Bls: 19 krafist RNA; 15: PN: US20040014050 Page: 19 krafist RNA; 15: PN: US20040014051 Bls: 21 krafist RNA; 15:

PN: WO03106645 Bls: 69 krafðist RNA; 16: PN: US20040006029 Bls: 22 krafist RNA; 87: PN: US20040005707 Page: 19 krafist RNA

Tilrauna litróf

Litróf í boði
1 klst. NMR
13 C nmr
Hetero nmr

Spáð eiginleikum

Eignir í boði
Líffræðileg
Efni
Lipinski
Uppbygging tengd

Líffræðileg

Eign Gildi Ástand Uppspretta
Bioconcentration Factor 348 pH 1; Temp: 25 ° C. (1) ACD
Bioconcentration Factor 2810 pH 2; Temp: 25 ° C. (1) ACD
Bioconcentration Factor 21100 Ph 3; Temp: 25 ° C. (1) ACD
Bioconcentration Factor 63100 pH 4; Temp: 25 ° C. (1) ACD
Bioconcentration Factor 78800 pH 5; Temp: 25 ° C. (1) ACD
Bioconcentration Factor 80800 pH 6; Temp: 25 ° C. (1) ACD
Bioconcentration Factor 80800 pH 7; Temp: 25 ° C. (1) ACD
Bioconcentration Factor 78800 pH 8; Temp: 25 ° C. (1) ACD
Bioconcentration Factor 63400 pH 9; Temp: 25 ° C. (1) ACD
Bioconcentration Factor 21800 pH 10; Temp: 25 ° C. (1) ACD

(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)

Efni

Eign Gildi Ástand Uppspretta
KOC 487 pH 1; Temp: 25 ° C. (1) ACD
KOC 3940 pH 2; Temp: 25 ° C. (1) ACD
KOC 29600 Ph 3; Temp: 25 ° C. (1) ACD
KOC 88400 pH 4; Temp: 25 ° C. (1) ACD

 

Eign Gildi Ástand Uppspretta
KOC 1,10 x 105 pH 5; Temp: 25 ° C. (1) ACD
KOC 1,13 x 105 pH 6; Temp: 25 ° C. (1) ACD
KOC 1,13 x 105 pH 7; Temp: 25 ° C. (1) ACD
KOC 1,10 x 105 pH 8; Temp: 25 ° C. (1) ACD
KOC 88800 pH 9; Temp: 25 ° C. (1) ACD
KOC 30600 pH 10; Temp: 25 ° C. (1) ACD
logd 4.39 pH 1; Temp: 25 ° C. (1) ACD
logd 5.30 pH 2; Temp: 25 ° C. (1) ACD
logd 6.18 Ph 3; Temp: 25 ° C. (1) ACD
logd 6.65 pH 4; Temp: 25 ° C. (1) ACD
logd 6,75 pH 5; Temp: 25 ° C. (1) ACD
logd 6,76 pH 6; Temp: 25 ° C. (1) ACD
logd 6,76 pH 7; Temp: 25 ° C. (1) ACD
logd 6,75 pH 8; Temp: 25 ° C. (1) ACD
logd 6.65 pH 9; Temp: 25 ° C. (1) ACD
logd 6.19 pH 10; Temp: 25 ° C. (1) ACD
logp 6,761 ± 0,669 Temp: 25 ° C. (1) ACD
Massa eðlislægni 2,0 x 10-4 g/l Temp: 25 ° C. (1) ACD
Massa leysni 0,046 g/l pH 1; Temp: 25 ° C. (1) ACD
Massa leysni 5,7 x 10-3 g/l pH 2; Temp: 25 ° C. (1) ACD
Massa leysni 7,6 x 10-4 g/l Ph 3; Temp: 25 ° C. (1) ACD
Massa leysni 2,5 x 10-4 g/l pH 4; Temp: 25 ° C. (1) ACD
Massa leysni 2,0 x 10-4 g/l pH 5; Temp: 25 ° C. (1) ACD
Massa leysni 2,0 x 10-4 g/l pH 6; Temp: 25 ° C. (1) ACD
Massa leysni 2,0 x 10-4 g/l pH 7; Temp: 25 ° C. (1) ACD
Massa leysni 2,0 x 10-4 g/l pH 8; Temp: 25 ° C. (1) ACD
Massa leysni 2,5 x 10-4 g/l pH 9; Temp: 25 ° C. (1) ACD
Massa leysni 7,4 x 10-4 g/l pH 10; Temp: 25 ° C. (1) ACD
Massa leysni 2,0 x 10-4 g/l Óbifað vatn pH 7,00; Temp: 25 ° C. (1) ACD
Molar innri leysni 2,4 x 10-7 mól/l Temp: 25 ° C. (1) ACD
Molar leysni 5,6 x 10-5 mól/l pH 1; Temp: 25 ° C. (1) ACD
Molar leysni 7,0 x 10-6 mól/l pH 2; Temp: 25 ° C. (1) ACD

 

Eign Gildi Ástand Uppspretta
Molar leysni 9,3 x 10-7 mól/l Ph 3; Temp: 25 ° C. (1) ACD
Molar leysni 3,1 x 10-7 mól/l pH 4; Temp: 25 ° C. (1) ACD
Molar leysni 2,5 x 10-7 mól/l pH 5; Temp: 25 ° C. (1) ACD
Molar leysni 2,4 x 10-7 mól/l pH 6; Temp: 25 ° C. (1) ACD
Molar leysni 2,4 x 10-7 mól/l pH 7; Temp: 25 ° C. (1) ACD
Molar leysni 2,5 x 10-7 mól/l pH 8; Temp: 25 ° C. (1) ACD
Molar leysni 3,1 x 10-7 mól/l pH 9; Temp: 25 ° C. (1) ACD
Molar leysni 9,0 x 10-7 mól/l pH 10; Temp: 25 ° C. (1) ACD
Molar leysni 2,4 x 10-7 mól/l Óbifað vatn pH 7,00; Temp: 25 ° C. (1) ACD
Mólmassa 818.89    
PKA 9,55 ± 0,10 Sýrtasta temp: 25 ° C (1) ACD
PKA 3,45 ± 0,70 Grundvöllurinn: 25 ° C (1) ACD

(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Eign Gildi Ástand Uppspretta
Frjálslega snúningsbönd 21   (1) ACD
H samþykki 14   (1) ACD
H styrktaraðilar 1   (1) ACD
H gjafa/samþykki fjárhæð 15   (1) ACD
logp 6,761 ± 0,669 Temp: 25 ° C. (1) ACD
Mólmassa 818.89    

(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)

Uppbygging tengd

Eign Gildi SKILYRÐI
Polar yfirborð 164 A2 (1) ACD

(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)

Spáð litróf

Litróf í boði
1 klst. NMR
13 C nmr

Yfirlýsingar GHS

Heimild kóðahættu
H302 skaðlegt ef gleypt Flokkun og merking evrópskra efna (ECHA)

Birgðir - Tilkynnt flokkun og merkingar - Algengustu tilkynningarnar, Evrópsk efnastofnun (ECHA)

Flokkun og merkingarbirgðir - Tilkynnt flokkun og merkingar - Alvarlegustu tilkynningarnar


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