[5',5''-2H2]thymidine

CAT: 0024-sc-291085ASize: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-291085ASize:100 mg

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CAS Number

132376-92-2

Chemical Information

Thymidine-5',5''-D2

CAS Number	132376-92-2
PubChem CID	118855911
IUPAC Name	1-[(2R,4S,5R)-5-[dideuterio(hydroxy)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular Formula	C10H14N2O5
Molecular Weight	244.24
XLogP	-1.2
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	381

SMILES

[2H]C([2H])([C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)O

InChI

InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i4D2

InChIKey

IQFYYKKMVGJFEH-PQDUBQKDSA-N

Chemical Structure

2D Structure

CAS: 132376-92-2

CID: 118855911

Formula: C10H14N2O5

MW: 244.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.24
XLogP3	-1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	244.10282504
Monoisotopic Mass	244.10282504
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	381
Isotope Atom Count	2
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
166811	Thymidine-5',5''-D2
HY-131576	Thymidine 5′-diphosphate
MBS5816015	Thymidine 5'-diphosphate
M24295-01	5-deoxy Thymidine
C4692-5	5'-deoxy Thymidine
166810	Thymidine-5'-13C
T686500	5’-Tosyl Thymidine
RM-T043105-01	Thymidine Impurity 5
HY-154569	5’-Deoxy-5’-furfurylamino thymidine
TNU1406-01	5'-Deoxy-5'-furfurylamino thymidine