CAS No.: 7791-71-1 — 5'-O-Tritylthymidine (5'-O-三苯甲基胸苷)

1. Primary Information

English name:	5'-O-Tritylthymidine
CAS No.:	7791-71-1
Molecular formula:	C₂₉H₂₈N₂O₅
Molecular weight:	484.5 g/mol
SMILES:	CC1=CN(C(=O)NC1=O)C2CC(C(O2)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	98%(contains <10%DCM)	44	-20℃	in stock	-
Kehua Intelligence	5g	98%(contains <10%DCM)	192	-20℃	in stock	-
Kehua Intelligence	25g	98%(contains <10%DCM)	576	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 64 68 0 1 0 0 0 0 0999 V2000 -1.9569 -1.3626 1.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4365 -1.0336 0.5083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9798 -4.1611 1.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6304 -2.1552 0.0776 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0153 2.3318 -0.8541 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -0.8076 0.3783 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8082 0.0844 -0.3841 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 -1.8086 1.4288 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8116 -2.8954 0.3779 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0961 -2.4966 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -1.8724 0.8208 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1455 -0.6058 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 0.0473 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -0.5806 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 0.5663 -1.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3245 1.0988 1.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2184 0.4740 0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0948 -1.0459 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9038 1.5533 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4887 0.2093 -1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6275 -0.0723 -2.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5344 2.4041 0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 -1.8953 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6054 1.6379 -1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 0.6701 2.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3306 1.3824 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3141 2.9247 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 -0.3581 -1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9267 0.3967 -3.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6323 3.3535 1.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 -2.4627 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 2.1068 -2.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3029 1.6194 3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9759 -1.6940 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0652 1.4861 -3.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 2.9610 3.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -2.2034 2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0314 -2.9895 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 -1.7633 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6357 -3.3317 -0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4935 -2.6395 1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 -0.2778 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 0.1916 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1536 -4.8159 0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1892 0.6119 0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7807 -0.0631 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3025 1.2482 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -0.9427 -2.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7104 2.7425 -0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 -2.5338 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3451 2.1017 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -0.3706 2.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3283 3.2873 -1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 2.9466 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8849 3.6229 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 0.2399 -1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 -0.0923 -4.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8177 4.3954 1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2196 -3.5024 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7825 2.9416 -2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2268 1.3123 4.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9296 -2.1358 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.8467 -4.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 3.6990 3.9273 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 44 1 0 0 0 0 4 18 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 18 1 0 0 0 0 7 26 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 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 20 2 0 0 0 0 14 23 1 0 0 0 0 15 21 2 0 0 0 0 15 24 1 0 0 0 0 16 22 2 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 45 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 20 47 1 0 0 0 0 21 29 1 0 0 0 0 21 48 1 0 0 0 0 22 30 1 0 0 0 0 22 49 1 0 0 0 0 23 31 2 0 0 0 0 23 50 1 0 0 0 0 24 32 2 0 0 0 0 24 51 1 0 0 0 0 25 33 2 0 0 0 0 25 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 34 2 0 0 0 0 28 56 1 0 0 0 0 29 35 2 0 0 0 0 29 57 1 0 0 0 0 30 36 2 0 0 0 0 30 58 1 0 0 0 0 31 34 1 0 0 0 0 31 59 1 0 0 0 0 32 35 1 0 0 0 0 32 60 1 0 0 0 0 33 36 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C29H28N2O5/c1-20-18-31(28(34)30-27(20)33)26-17-24(32)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26,32H,17,19H2,1H3,(H,30,33,34)/t24-,25+,26+/m0/s1

4.3 InChIKey

FZDHVUVGQXVYOP-JIMJEQGWSA-N

4.4 Canonical SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

4.5 Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)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)