3'-Deoxy-3'-C-methylcytidine

CAT: 0926-ND15622-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-ND15622-01Size:10 mg

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CAS Number

444020-09-1

MDL Number

MFCD20134034

Smiles

C[C@@H]1[C@H] (O[C@H] ([C@@H]1O) N2C=CC (=NC2=O) N) CO

Molecular Formula

C10H15N3O4

Molecular Weight

241.24 g/mol

Shipping Conditions

Cool Pack

Controlled

Chemical Information

4-Amino-1-((2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyltetrahydrofuran-2-yl)pyrimidin-2(1H)-one

CAS Number	444020-09-1
PubChem CID	60104742
IUPAC Name	4-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
Molecular Formula	C10H15N3O4
Molecular Weight	241.24
XLogP	-1.3
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	382

SMILES

C[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO

InChI

InChI=1S/C10H15N3O4/c1-5-6(4-14)17-9(8(5)15)13-3-2-7(11)12-10(13)16/h2-3,5-6,8-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,6-,8-,9-/m1/s1

InChIKey

OBFLVJHTKMCKMC-SQEXRHODSA-N

Chemical Structure

2D Structure

CAS: 444020-09-1

CID: 60104742

Formula: C10H15N3O4

MW: 241.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.24
XLogP3	-1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	241.10625597
Monoisotopic Mass	241.10625597
Topological Polar Surface Area	108 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
NA163051-01	3'-Azido-3'-deoxy-5-methylcytidine
ND06242-01	2'-Deoxy-5-methylcytidine
ND153424-01	2'-Deoxy-N4-methylcytidine
MD163078-01	2’-Deoxy-N3-methylcytidine
ND28816-01	2'-Deoxy-2'-fluoro-2'-C-methylcytidine
ND08562-01	2'-Deoxy-5-methylcytidine HCl
ND71638-01	2'-Deoxy-2'-fluoro-5-methylcytidine
NA15219-01	N4-Acetyl-2'-deoxy-5-methylcytidine
ND06231-01	2'-Deoxy-N3-methylcytidine hydroiodide salt
FA144649-01	2’-Amino-2’-deoxy-5-methylcytidine

Catalog	Name
HY-152731	3′-Deoxy-3′-methylcytidine
TNU0002-01	3'-Deoxy-3'-alpha-C-methylcytidine
HY-111640-01	3'-Azido-3'-deoxy-5-methylcytidine
M26027-01	3-Azido-3-deoxy-5-methylcytidine
TNU0362-01	3'-Deoxy-3'-fluoro-5-methylcytidine
HY-152302	3’-Deoxy-3’-fluoro-5-methylcytidine
A19200-5	3'-Azido-3'-deoxy-5-methylcytidine 5mg
GTR19214970-01	3'-Deoxy-3'-fluoro-xylo-5-methylcytidine
A19200-100	3'-Azido-3'-deoxy-5-methylcytidine 100mg
HY-152403	3’-Deoxy-3’-fluoro-xylo-5-methylcytidine