C34H39N3O8 cytidine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methox yethyl) -5-methyl- (9ci, ACI)

Bidhaa

C34H39N3O8 cytidine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methox yethyl) -5-methyl- (9ci, ACI)

Habari ya kimsingi:


Maelezo ya bidhaa

Vitambulisho vya bidhaa

Mali ya mwili

Sifa muhimu za mwili Thamani Hali
Uzito wa Masi 617.69 -
Kiwango cha kuchemsha (kilitabiriwa) 762.6 ± 70.0 ° C. Bonyeza: 760 Torr
Uzani (uliotabiriwa) 1.27 ± 0.1 g/cm3 Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri) 13.31 ± 0.70 Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical 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.
Isomeric 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 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = 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 (23-8-5-9-2-2 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-, M1/M1/M1
Ufunguo wa Inchi
Lyktvjxzqtnpk-pbamlimusa-n
Majina mengine 24 kwa dutu hii
5'-O- [BIS (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 Ukurasa: 17 alidai RNA; 12: PN: US20030211606 Ukurasa: 18 alidai r na; 12: PN: US20030212017 Ukurasa: 19 alidai r na; 14: PN: US20040005569 PAG E: 21 walidai r na; 15: PN: US20040005565 Ukurasa: 17- 22 walidai RNA; 15: PN: US20040005570 Ukurasa: 19 alidai r na; 15: PN: U S20040006030 Ukurasa: 22 Madai ya R NA; 15: PN: US20040014048 Ukurasa: 19 alidai R NA; 16: PN: US20030171313 Ukurasa: 9 alidai RNA; 16: PN: US20030198965 Ukurasa: 19 alidai r na; 16: PN: US20040014047 Ukurasa: 19 alidai R NA; 16: PN: US20040014049 Ukurasa:

19 alidai RNA; 17: PN: US20040014051 Ukurasa: 21 walidai R NA; 17: PN: US20040014699 Ukurasa: 19 alidai r na; 17: PN: w
O03106645 Ukurasa: 69 alidai R NA; 18: PN: US20040006029 Ukurasa: 22 walidai R NA; 2'-O-methoxyethyl-5'-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 Ukurasa: 15 alidai r na; 5: PN: WO2005006958 Ukurasa: 61 alidai R NA; 7: PN: WO20050 07825 Ukurasa: 61 alidai R NA; 82: PN: US20040171566 Ukurasa: 18 alidai r na; 89: PN: US20040005707 Ukurasa: 19 alidai r na; 9: PN: WO03084478 Ukurasa: 56 alidai r na

Mali zilizotabiriwa

Mali inapatikana
Kibaolojia
Kemikali
Wiani
Lipinski
Muundo unaohusiana
Mafuta

Kibaolojia

Mali Thamani Hali Chanzo
Sababu ya bioconcentration 1.56 pH 1; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 1.99 pH 2; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 6.19 pH 3; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 38.0 pH 4; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 116 pH 5; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 146 pH 6; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 150 pH 7; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 151 pH 8; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 151 pH 9; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 151 pH 10; Temp: 25 ° c (1) ACD

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Kemikali

Mali Thamani Hali Chanzo
KOC 13.0 pH 1; Temp: 25 ° c (1) ACD
KOC 16.6 pH 2; Temp: 25 ° c (1) ACD
KOC 51.8 pH 3; Temp: 25 ° c (1) ACD
KOC 318 pH 4; Temp: 25 ° c (1) ACD
KOC 966 pH 5; Temp: 25 ° c (1) ACD
KOC 1220 pH 6; Temp: 25 ° c (1) ACD
KOC 1260 pH 7; Temp: 25 ° c (1) ACD

 

Mali Thamani Hali Chanzo
KOC 1260 pH 8; Temp: 25 ° c (1) ACD
KOC 1260 pH 9; Temp: 25 ° c (1) ACD
KOC 1260 pH 10; Temp: 25 ° c (1) ACD
logi 1.18 pH 1; Temp: 25 ° c (1) ACD
logi 1.29 pH 2; Temp: 25 ° c (1) ACD
logi 1.78 pH 3; Temp: 25 ° c (1) ACD
logi 2.57 pH 4; Temp: 25 ° c (1) ACD
logi 3.05 pH 5; Temp: 25 ° c (1) ACD
logi 3.16 pH 6; Temp: 25 ° c (1) ACD
logi 3.17 pH 7; Temp: 25 ° c (1) ACD
logi 3.17 pH 8; Temp: 25 ° c (1) ACD
logi 3.17 pH 9; Temp: 25 ° c (1) ACD
logi 3.17 pH 10; Temp: 25 ° c (1) ACD
Logp 3.169 ± 0.598 Temp: 25 ° c (1) ACD
Umumunyifu wa ndani 5.2 x 10-3 g/l Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 0.51 g/l pH 1; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 0.40 g/l pH 2; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 0.13 g/l pH 3; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 0.020 g/l pH 4; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 6.8 x 10-3 g/l pH 5; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.4 x 10-3 g/l pH 6; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.3 x 10-3 g/l pH 7; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.2 x 10-3 g/l pH 8; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.2 x 10-3 g/l pH 9; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.2 x 10-3 g/l pH 10; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.3 x 10-3 g/l Maji yasiyokuwa na maji pH 7.05; Temp: 25 ° c (1) ACD
Umumunyifu wa ndani wa molar 8.4 x 10-6 mol/l Temp: 25 ° c (1) ACD
Umumunyifu wa molar 8.2 x 10-4 mol/l pH 1; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.4 x 10-4 mol/l pH 2; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 2.1 x 10-4 mol/l pH 3; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 3.3 x 10-5 mol/l pH 4; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.1 x 10-5 mol/l pH 5; Temp: 25 ° c (1) ACD

 

Mali Thamani Hali Chanzo
Umumunyifu wa molar 8.7 x 10-6 mol/l pH 6; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 8.5 x 10-6 mol/l pH 7; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 8.4 x 10-6 mol/l pH 8; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 8.4 x 10-6 mol/l pH 9; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 8.4 x 10-6 mol/l pH 10; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 8.5 x 10-6 mol/l Maji yasiyokuwa na maji pH 7.05; Temp: 25 ° c (1) ACD
Uzito wa Masi 617.69    
PKA 13.31 ± 0.70 Templeti nyingi za asidi: 25 ° C. (1) ACD
PKA 4.58 ± 0.10 Muda wa msingi zaidi: 25 ° C. (1) ACD
Shinikizo la mvuke 1.89 x 10-24 Torr Temp: 25 ° c (1) ACD

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Wiani

Mali Thamani Hali Chanzo
Wiani 1.27 ± 0.1 g/cm3 Temp: 20 ° C; Bonyeza: 760 Torr (1) ACD
Kiasi cha molar 483.8 ± 7.0 cm3/mol Temp: 20 ° C; Bonyeza: 760 Torr (1) ACD

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Lipinski

Mali Thamani Hali Chanzo
Vifungo vya mzunguko wa bure 14   (1) ACD
Wapokeaji 11   (1) ACD
H wafadhili 3   (1) ACD
H wafadhili/jumla ya jumla 14   (1) ACD
Logp 3.169 ± 0.598 Temp: 25 ° c (1) ACD
Uzito wa Masi 617.69    

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Muundo unaohusiana

Mali Thamani

Hali

Chanzo
Eneo la uso wa polar 134 A2 (1) ACD

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Mafuta

Mali Thamani Hali Chanzo
Kiwango cha kuchemsha 762.6 ± 70.0 ° C. Bonyeza: 760 Torr (1) ACD
Enthalpy ya mvuke 116.53 ± 3.0 kJ/mol Bonyeza: 760 Torr (1) ACD
Kiwango cha Flash 415.0 ± 35.7 ° C.   (1) ACD

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Utabiri uliotabiriwa

Spectra inapatikana
1H NMR
13C NMR


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