AG0038WM

18771-50-1 | Tetrahydrouridine

AG0038WM

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CAS Number	18771-50-1
Catalog Number	AG0038WM(AGN-PC-0QGS8C)
Chemical Name	Tetrahydrouridine
IUPAC Name	1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
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
InChI Key	UCKYOOZPSJFJIZ-XVKVHKPRSA-N
MDL Number	MFCD00063468
Molecular Formula	C9H16N2O6
Molecular Weight	248.2331
SMILES	OC(CCN1[C@H]2[C@@H]([C@@H]([C@@H](CO)O2)O)O)NC1=O
Synonyms	NSC 112907, NSC-112907, NSC112907, Tetrahydrouridine, TETRAHYDROURIDINE, 3,4,5,6-Tetrahydrouridine, NSC-112907, NSC 112907, 18771-50-1, CHEMBL2311128, U 23284, NSC-112907-D, BRN 0752319, 2(1H)-pyrimidinone, tetrahydro-4-hydroxy-1-beta-D-ribofuranosyl-, NSC112907, AC1L1H1G, SCHEMBL587704, 2(1H)-Pyrimidinone, tetrahydro-4-hydroxy-1-.beta.-D-ribofuranosyl-, 3,4,5, 6-Tetrahydrouridine, UCKYOOZPSJFJIZ-XVKVHKPRSA-N, BDBM50421666, AKOS032953792, CS-7633, DB12484, LS-7719, HY-15345, 3,4,5,6-Tetrahydrouridine (>80% by HPLC), J-012078, 4-hydroxy-1-beta-D-ribofuranosyl-tetrahydro-2(1H)-pyrimidinone, 1-[(3xi)-D-threo-pentofuranosyl]dihydropyrimidine-2,4(1H,3H)-dione, 2(1H)-Pyrimidinone, tetrahydro-4-hydroxy-1-.beta.-D-ribofuranosyl- ( ), 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-hexahydropyrimidin-2-one, uridine, 5,6-Dihydrouridine, tetrahydro uridine, D0I5OR, UNII-0NIZ8H6OL8, 0NIZ8H6OL8, C9H14N2O6, Uridine, 3,4,5,6-tetrahydro-, CID29243, CS-O-05908, D013767, 1-[ -3,4-dihydroxy-5- oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one, THU, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one, 5627-05-4,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	248.101g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	248.235g/mol
Monoisotopic Mass	248.101g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	123A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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