C50h58N7o9p Adenosine, N-Ben Bensine-5 '-AO--Neach-obrach (O--leas-neach-freagairt) Posphorondnachte] (ACI)

toradh

C50h58N7o9p Adenosine, N-Ben Bensine-5 '-AO--Neach-obrach (O--leas-neach-freagairt) Posphorondnachte] (ACI)

Fiosrachadh bunaiteach:


Mion-fhiosrachadh toraidh

Tagaichean toraidh

Mion-fhiosrachadh stuthan

Àireamh Clàrs Cas

251647-53-7

H302

Prìomh thogalaichean corporra Luach Suidheachadh
Cuideam molecular 932.01 -
paka (ro-innse) 7.87 ± 0.43 Temp as searbhagach: 25 ° C.

Ainmean is aithnichearan eile

Smiles Canonical

N # cccop (OC1C (OC (OC (N2C = NC = 3c (c = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = c (OC) C = c7) n (c (c) c) c (c) c

Gàire isomicic

C (OC [C @@] 1 [C @/ (N = cc = cc = cc = cc = cc = cc = cc3) (cN3) (cN3) (c2 = Cc = c (OC) C = c5) (C6 = cc = c (OC) C = c6) C7 = cc = cc = cc = cc = c

Inchi

Inchi = 1s / c50h58N7O9P / C1-34 (2) 57-5-5-4-3-4-3-4-3-43-40-40 (60-6) 24-20-38) 3 9-21-25-41 (61-7) 26-22-2-39) 65-49 (43-54-53-5-47 (58-36 / H8-11-26, 32-35,42,44-4-4-49Sh2,28-3,5H3, (42,5-, 49-, 67-, 67? / S1

Iuchair Inchi

Vpbybqoglhg-hdmawcrfras-n

16 ainmean eile airson an stuth seo

Adenosine,N-benzoyl-5 '-O- [BIS (4-Neach-obrach) dha na Leumnylmeyl] -2 '-O- (2-Neach -itheamh) -, 3 '- [2-Cyanothyl Bis (1-methylethyl)

phòmhounidite] (9c); 16: PN: US20030211606 Duilleag: 19 seòrsa a-steach; 16: PN: US20030212017 duilleag: 20 sreath iarrte a-steach; 17: PN: US200400400400400400400400569 Duilleag: 22 seòrsa air a ràdh; 19: PN: US20040040040040006030 Duilleag: 23 Seòrsa a chaidh a ràdh; 19: PN: US2004004047

Duilleag: 21 sreath air a ràdh; 19: PN: US20040040014049 Duilleag: 21 sreath a chaidh a ràdh a-steach; 20: PN: US20040040040040005570 Duilleag: 20 air a thagradh

òrdugh; 20: PN: US20040040014048 Duilleag: 21 sreath air a ràdh a-steach; 20: PN: US2004004004050 Duilleag: 20 t-iarrtas a-steach; 21: PN: U.

S200400055655555 Duilleag: 17- 22 a 'tagradh sreath; 21: PN: US2004004004051 Duilleag: 23 Itquence air a ràdh; 22: PN: US2004004004699 Duilleag: 20 t-ainm a-steach sreath; 23: PN: US20040040040040006029 Duilleag: 23 sreath a chaidh a thagradh; 23: PN: W031010664545: 73 sreath a chaidh a thagradh; 94: P N: US20040040040005707 Duilleag: 20 Seòrsa air a ràdh

Speactra deuchainneach

Spectra ri fhaighinn
1 h nmr
13 c nmr
Hetero nmr

Togalaichean ro-innse

Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar co-cheangailte

Bith-eòlasach

Seilbh Luach Suidheachadh Stòr
Dà fhaclan bith-eòlasach 2680 Ph 1; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 71500 Ph 2; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 7.21 X 105 Ph 3; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.00 x 106 Ph 4; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.00 x 106 Ph 5; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.00 x 106 Ph 6; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.00 x 106 Ph 7; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 8.48 x 105 Ph 8; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.39 x 105 Ph 9; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 40300 Ph 10; Temp: 25 ° C. (1) ACD

(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)

Ceimigeach

Seilbh Luach Suidheachadh Stòr
Koc 1360 Ph 1; Temp: 25 ° C. (1) ACD
Koc 36300 Ph 2; Temp: 25 ° C. (1) ACD
Koc 3.66 x 105 Ph 3; Temp: 25 ° C. (1) ACD
Koc 1.13 x 106 Ph 4; Temp: 25 ° C. (1) ACD

 

Seilbh Luach Suidheachadh Stòr
Koc 1.42 x 106 Ph 5; Temp: 25 ° C. (1) ACD
Koc 1.42 x 106 Ph 6; Temp: 25 ° C. (1) ACD
Koc 1.17 x 106 Ph 7; Temp: 25 ° C. (1) ACD
Koc 4.30 x 105 Ph 8; Temp: 25 ° C. (1) ACD
Koc 70800 Ph 9; Temp: 25 ° C. (1) ACD
Koc 20500 Ph 10; Temp: 25 ° C. (1) ACD
logd 5.77 Ph 1; Temp: 25 ° C. (1) ACD
logd 7.20 Ph 2; Temp: 25 ° C. (1) ACD
logd 8.20 Ph 3; Temp: 25 ° C. (1) ACD
logd 8.69 Ph 4; Temp: 25 ° C. (1) ACD
logd 8.79 Ph 5; Temp: 25 ° C. (1) ACD
logd 8.79 Ph 6; Temp: 25 ° C. (1) ACD
logd 8.71 Ph 7; Temp: 25 ° C. (1) ACD
logd 8.27 Ph 8; Temp: 25 ° C. (1) ACD
logd 7.49 Ph 9; Temp: 25 ° C. (1) ACD
logd 6.95 Ph 10; Temp: 25 ° C. (1) ACD
logp 8.803 ± 0.766 Temp: 25 ° C. (1) ACD
Misneachd solbalileachd neo-ghnèitheach mòr 5.4 X 10-5 G / L. Temp: 25 ° C. (1) ACD
Solbuility mòr 0.051 G / L Ph 1; Temp: 25 ° C. (1) ACD
Solbuility mòr 1.9 x 10-3 G / L. Ph 2; Temp: 25 ° C. (1) ACD
Solbuility mòr 1.9 x 10-4 G / L Ph 3; Temp: 25 ° C. (1) ACD
Solbuility mòr 6.0 x 10-5 g / l Ph 4; Temp: 25 ° C. (1) ACD
Solbuility mòr 4.8 x 10-5 g / l Ph 5; Temp: 25 ° C. (1) ACD
Solbuility mòr 4.8 x 10-5 g / l Ph 6; Temp: 25 ° C. (1) ACD
Solbuility mòr 5.8 x 10-5 g / l Ph 7; Temp: 25 ° C. (1) ACD
Solbuility mòr 1.6 x 10-4 G / L. Ph 8; Temp: 25 ° C. (1) ACD
Solbuility mòr 9.3 x 10-4 G / L Ph 9; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.6 x 10-3 G / L. Ph 10; Temp: 25 ° C. (1) ACD
Solbuility mòr 5.7 x 10-5 g / l Uisge Unbuffered PH 6.97; Temp: 25 ° C. (1) ACD
Solbalileachd neo-ghnèitheach molar 5.8 x 10-8 Mol / L. Temp: 25 ° C. (1) ACD
Solubility molar 5.5 x 10-5 Mol / L. Ph 1; Temp: 25 ° C. (1) ACD
Solubility molar 2.0 x 10-6 Mol / L. Ph 2; Temp: 25 ° C. (1) ACD

 

Seilbh Luach Suidheachadh Stòr
Solubility molar 2.0 x 10-7 Mol / L. Ph 3; Temp: 25 ° C. (1) ACD
Solubility molar 6.4 x 10-8 Mol / L. Ph 4; Temp: 25 ° C. (1) ACD
Solubility molar 5.1 x 10-8 Mol / L. Ph 5; Temp: 25 ° C. (1) ACD
Solubility molar 5.1 x 10-8 Mol / L. Ph 6; Temp: 25 ° C. (1) ACD
Solubility molar 6.2 x 10-8 Mol / L. Ph 7; Temp: 25 ° C. (1) ACD
Solubility molar 1.7 x 10-7 Mol / L. Ph 8; Temp: 25 ° C. (1) ACD
Solubility molar 1.0 x 10-6 Mol / L. Ph 9; Temp: 25 ° C. (1) ACD
Solubility molar 3.9 x 10-6 Mol / L. Ph 10; Temp: 25 ° C. (1) ACD
Solubility molar 6.1 x 10-8 Mol / L. Uisge Unbuffered PH 6.97; Temp: 25 ° C. (1) ACD
Cuideam molecular 932.01    
paka 7.87 ± 0.43 Temp as searbhagach: 25 ° C. (1) ACD
paka 3.45 ± 0.70 Temp as bunaitiche: 25 ° C. (1) ACD

(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)

Lipinski

Seilbh Luach Suidheachadh Stòr
Bannan gu tur ro-bheathaichte 22   (1) ACD
Hrrairean 16   (1) ACD
Hnors her 1   (1) ACD
H tabhartaiche / geurraiche suim 17   (1) ACD
logp 8.803 ± 0.766 Temp: 25 ° C. (1) ACD
Cuideam molecular 932.01    

(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)

Structar co-cheangailte

Seilbh Luach Stòr cumhachd
Raon uachdar pòla 187 A2 (1) ACD

(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)

Spectra ro-innse

Spectra ri fhaighinn
1 h nmr
13 c nmr

Aithrisean cunnart GHS

Còd ath-aithris cunntaraidh
H302 cronail ma tha thu a 'slugadh Buidheann Ceimigeach Eòrpach (Echa) Seòrsachadh & Labeling

Clàr-stuthan Cunntas-sluaigh agus Labeling - Nothan as cumanta, Buidheann Cheimigeach Eòrpach (Echa)

Clàr-seilbhe & Labeling - Clàr-seilbhe fios agus bileag - A 'GABHAIL A-STEACH - A' mhòr-chuid de dh 'aithrisean as miosa


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