![C40H49N4O9P Uridín, 5′ -O- [bis(4-methocsaifeinil)feanilmeitil]-2′ -O-meitil-, 3′ – [2-cianoethyl N,N-bis(1-meitileitil)fosfaraimít] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridín, 5′ -O- [bis(4-methocsaifeinil)feinilmeitil]-2′ -O-meitil-, 3′ – [2-chianoethyl N,N-bis(1-meitileitil)fosfaraimít] (ACI) Íomhá faoi Thrácht](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridín, 5′ -O- [bis(4-methocsaifeinil)feanilmeitil]-2′ -O-meitil-, 3′ – [2-cianoethyl N,N-bis(1-meitileitil)fosfaraimít] (ACI)
Uimhir Chláraithe CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll | |
| Meáchan Móilíneach | 760.81 | - | |
| pKa (Tuartha) | 9.39±0.10 | Teocht is Airde: 25 °C |
SMILES Canonical
N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)N(C(C)C)C(C)C
SMILES Isiméireacha
C(OC[C@@H]1[C@H](OP(N(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@ H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC =C5
InchI
InChI= 1S/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7) 43-24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5 )19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,36-38H,11,25-26H2 ,1-7H3,
(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1
Eochair InChI
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Ainm Eile don tSubstaint seo
Uidín, 5′ -O- [bis(4- meatocsaifeinil)feinilmeitil]-2′ -O-meitil-, 3′ - [2-cianoethyl bis(1-meitileitil)fosfaraimidít] (9CI)
Spectra ar fáil
Aifreann
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 254 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 2050 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 15400 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 46000 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 57500 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 58900 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 58900 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 56800 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 42300 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 12200 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 389 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 3140 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 23600 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 70500 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 88100 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 90300 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 90200 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 87100 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 64800 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 18700 | pH 10; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 4.21 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 5.12 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 6. 00 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 6. 47 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 6.57 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 6.58 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 6.58 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 6.56 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 6.44 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 5. 90 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 6.581±0.646 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 8.4 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.019 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.4 x 10-3 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.1 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.1 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 8.4 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 8.4 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 8.4 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 8.4 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.1 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.0 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 8.4 x 10-5 g/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.1 x 10-7 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.5 x 10-5 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.1 x 10-6 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.1 x 10-7 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-7 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.1 x 10-7 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.1 x 10-7 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.1 x 10-7 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.1 x 10-7 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 1.5 x 10-7 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.2 x 10-7 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.1 x 10-7 mol/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 760.81 | ||
| pKa | 9.39±0.10 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 18 | (1) ACD | |
| H Glacadóirí | 13 | (1) ACD | |
| H Deontóirí | 1 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 14 | (1) ACD | |
| logP | 6.581±0.646 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 760.81 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polar | 155 A2 | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1 H NMR
13 C NMR
| Cód | Ráiteas Guaise | Foinse |
| H335 | D'fhéadfadh sé a bheith ina chúis le greannú riospráide | Saineolaí Coimeádta |
| H331 | Tocsaineach má ionanálú | Saineolaí Coimeádta |
| H319 | Is cúis le greannú súl tromchúiseach | Saineolaí Coimeádta |
| H315 | Is cúis le greannú craicinn | Saineolaí Coimeádta |
| Cód | Ráiteas Guaise | Foinse |
| H311 | Tocsaineach i dteagmháil leis an gcraiceann | Saineolaí Coimeádta |
| H301+H311+H331 | Tocsaineach má shlogtar, i dteagmháil leis an gcraiceann nó ionanálú | Saineolaí Coimeádta |
| H301 | Tocsaineach má shlogtar é | Saineolaí Coimeádta |
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