CAS No.: 3736-77-4 — 2,2'-Anhydrouridine (2，2′-脱水尿苷)

1. Primary Information

English name:	2,2'-Anhydrouridine
CAS No.:	3736-77-4
Molecular formula:	C₉H₁₀N₂O₅
Molecular weight:	226.19 g/mol
SMILES:	C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O
Structural class:
Other identifiers:	0(2),2'-anhydrouridine cyclouridine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	高纯，98%	22	RT	in stock	-
Kehua Intelligence	5g	高纯，98%	37	RT	in stock	-
Kehua Intelligence	25g	高纯，98%	125	RT	in stock	-
Kehua Intelligence	100g	高纯，98%	432	RT	in stock	-
Kehua Intelligence	500g	高纯，98%	1920	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 28 0 1 0 0 0 0 0999 V2000 -1.5086 -0.6401 1.1274 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1232 1.2520 -1.0626 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5267 1.4704 0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 -2.9147 -0.4809 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2484 -0.2711 -0.8127 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 0.3010 0.8131 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 0.5255 -1.0693 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1482 1.4119 -0.0564 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7196 0.5571 1.1348 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4555 0.8013 -0.5037 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3898 -0.6381 -0.0088 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9620 0.6794 -0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8499 -1.6140 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -0.3127 1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8391 -0.5273 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 -0.0809 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2152 2.4765 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 1.0681 2.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 0.8731 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3641 -0.9895 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 -1.3743 -1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 -1.6344 -1.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 -0.6075 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3877 1.3896 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6259 -1.0117 1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7347 -3.1569 -0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 10 1 0 0 0 0 3 24 1 0 0 0 0 4 13 1 0 0 0 0 4 26 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 12 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one

4.2 InChI

InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1

4.3 InChIKey

UUGITDASWNOAGG-CCXZUQQUSA-N

4.4 Canonical SMILES

C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O

4.5 Isomeric SMILES

C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)