CAS No.: 14270-73-6 — 5'-O-Trityl-2'-deoxyuridine (5'-O-三苯甲基-2'-脱氧尿苷)

1. Primary Information

English name:	5'-O-Trityl-2'-deoxyuridine
CAS No.:	14270-73-6
Molecular formula:	C₂₈H₂₆N₂O₅
Molecular weight:	470.5 g/mol
SMILES:	C1C(C(OC1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	BR,98%	1120	2-8℃	in stock	-
Kehua Intelligence	5g	BR,98%	4480	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 61 65 0 1 0 0 0 0 0999 V2000 -2.0938 -1.1621 1.7934 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 -0.9827 0.5246 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2191 -4.0089 1.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7665 -1.8956 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0659 2.5828 -0.9283 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8613 -0.5688 0.3797 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9134 0.3347 -0.4023 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7858 -1.6632 1.4556 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0037 -2.7627 0.4256 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2718 -2.3304 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 -1.6555 0.8445 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0362 -0.5000 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 0.0590 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 -0.6257 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 0.5823 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2762 1.1274 1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2145 -0.7961 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3142 0.7025 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4087 0.1176 -1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5414 -0.0859 -2.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5344 2.4169 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 -1.9409 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5808 1.6867 -1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 0.7284 2.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 1.7705 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4135 1.6208 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -0.5010 -1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8595 0.3866 -3.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6653 3.3815 1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -2.5595 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1012 2.1592 -2.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 1.6931 3.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -1.8395 -1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 1.5091 -3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5332 3.0196 3.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 -2.0579 2.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1639 -2.9010 -0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0315 -1.6201 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -3.1536 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6722 -2.3913 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 0.3120 1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 -0.1647 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4161 -4.6702 0.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 0.8403 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 1.1575 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.9814 -2.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7242 2.7287 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8987 -2.5428 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3355 2.1771 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9915 -0.3018 2.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8886 0.1960 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5351 2.7493 -0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3835 0.0591 -1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9598 -0.1251 -4.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 4.4109 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 -3.6012 -0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7618 3.0170 -2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1811 1.4092 4.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 -2.3211 -1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4995 1.8719 -4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 3.7694 3.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 43 1 0 0 0 0 4 17 2 0 0 0 0 5 26 2 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 17 1 0 0 0 0 7 26 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 19 2 0 0 0 0 14 22 1 0 0 0 0 15 20 2 0 0 0 0 15 23 1 0 0 0 0 16 21 2 0 0 0 0 16 24 1 0 0 0 0 18 25 2 0 0 0 0 18 44 1 0 0 0 0 19 27 1 0 0 0 0 19 45 1 0 0 0 0 20 28 1 0 0 0 0 20 46 1 0 0 0 0 21 29 1 0 0 0 0 21 47 1 0 0 0 0 22 30 2 0 0 0 0 22 48 1 0 0 0 0 23 31 2 0 0 0 0 23 49 1 0 0 0 0 24 32 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 27 33 2 0 0 0 0 27 53 1 0 0 0 0 28 34 2 0 0 0 0 28 54 1 0 0 0 0 29 35 2 0 0 0 0 29 55 1 0 0 0 0 30 33 1 0 0 0 0 30 56 1 0 0 0 0 31 34 1 0 0 0 0 31 57 1 0 0 0 0 32 35 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

4.2 InChI

InChI=1S/C28H26N2O5/c31-23-18-26(30-17-16-25(32)29-27(30)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,31H,18-19H2,(H,29,32,33)/t23-,24+,26+/m0/s1

4.3 InChIKey

JJJNFNLUKYZAKI-BFLUCZKCSA-N

4.4 Canonical SMILES

C1C(C(OC1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

4.5 Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)