Methylthymidine

CAT: 1299-RM-M251200-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M251200-04Size:100 mg

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CAS Number

958-74-7

Synonyms

1- ((2R,4S,5R) -4-hydroxy-5- (hydroxymethyl) tetrahydrofuran-2-yl) -3,5-dimethylpyrimidine-2,4 (1H,3H) -dione

Molecular Formula

C11H16N2O5

Molecular Weight

256.26

Product Name Synonym

1- ((2R,4S,5R) -4-hydroxy-5- (hydroxymethyl) tetrahydrofuran-2-yl) -3,5-dimethylpyrimidine-2,4 (1H,3H) -dione

Chemical Information

Methylthymidine

3-methylthymidine has been reported in Streptomyces microflavus with data available.

CAS Number	958-74-7
PubChem CID	65062
IUPAC Name	1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
Molecular Formula	C11H16N2O5
Molecular Weight	256.25
XLogP	-1
Topological Polar Surface Area	90.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	408

SMILES

CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O

InChI

InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3/t7-,8+,9+/m0/s1

InChIKey

JCVDICFLPGDHAT-DJLDLDEBSA-N

Chemical Structure

2D Structure

CAS: 958-74-7

CID: 65062

Formula: C11H16N2O5

MW: 256.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.25
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	256.10592162
Monoisotopic Mass	256.10592162
Topological Polar Surface Area	90.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	408
Isotope Atom Count	0
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