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5-Hydroxycytidine

CAT: 0926-NH159404-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-NH159404-02Size:50 mg
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CAS Number
39638-73-8
Synonyms
5hoC
MDL Number
MFCD01937861
Smiles
C1=C (C (=NC (=O) N1[C@H]2[C@@H] ([C@@H] ([C@H] (O2) CO) O) O) N) O
Molecular Formula
C9H13N3O6
Molecular Weight
259.22 g/mol
Controlled
No

Chemical Information

5-Hydroxycytidine
CAS Number39638-73-8
PubChem CID198207
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrimidin-2-one
Molecular FormulaC9H13N3O6
Molecular Weight259.22
XLogP-2.5
Topological Polar Surface Area149
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity423
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)O
InChI
InChI=1S/C9H13N3O6/c10-7-3(14)1-12(9(17)11-7)8-6(16)5(15)4(2-13)18-8/h1,4-6,8,13-16H,2H2,(H2,10,11,17)/t4-,5-,6-,8-/m1/s1
InChIKey
MPPUDRFYDKDPBN-UAKXSSHOSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxycytidine
CAS: 39638-73-8
CID: 198207
Formula: C9H13N3O6
MW: 259.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight259.22
XLogP3-2.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass259.08043514
Monoisotopic Mass259.08043514
Topological Polar Surface Area149 Ų
Heavy Atom Count18
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes