CAS No.: 18771-50-1 — Tetrahydrouridine (四氢尿苷)

1. Primary Information

English name:	Tetrahydrouridine
CAS No.:	18771-50-1
Molecular formula:	C₉H₁₆N₂O₆
Molecular weight:	248.23 g/mol
SMILES:	C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O
Structural class:
Other identifiers:	NSC 112907 NSC-112907 NSC112907 Tetrahydrouridine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	80%	2400	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 34 0 1 0 0 0 0 0999 V2000 -1.2272 -0.3096 1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9832 2.1014 -1.3453 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 1.7053 0.2302 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 -2.1618 -0.6884 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4462 -1.0829 -1.5171 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 2.3004 0.4978 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8783 0.1760 0.4059 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 0.5260 0.1538 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4673 0.6539 0.5504 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1714 0.8180 -0.7854 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6161 0.5596 -0.4129 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4847 -0.5447 0.6272 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0380 -1.2579 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4218 -1.7491 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -1.9410 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 1.0806 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4631 -0.8740 -0.1118 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4585 1.5950 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8432 0.0724 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 0.3239 -1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2867 -0.4861 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8508 -1.4407 -0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -1.8423 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -1.6887 1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 -2.7966 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3418 -2.6966 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -2.0675 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -1.1103 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9925 1.1640 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 2.2238 -1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6849 1.8773 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6067 -3.0605 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0061 -0.3913 -1.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 30 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 15 1 0 0 0 0 4 32 1 0 0 0 0 5 17 1 0 0 0 0 5 33 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 29 1 0 0 0 0 9 10 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 12 1 0 0 0 0 11 20 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 17 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one

4.2 InChI

InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5?,6-,7-,8-/m1/s1

4.3 InChIKey

UCKYOOZPSJFJIZ-XVKVHKPRSA-N

4.4 Canonical SMILES

C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O

4.5 Isomeric SMILES

C1CN(C(=O)NC1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)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)