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5-Hydroxyuridine

CAT: 0127-BUP06685-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06685-05Size:100 mg
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CAS Number
957-77-7
Synonyms
OHUrd
Purity
=98%
Smiles
O[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C(=O)NC(=O)C(O)=C2

Chemical Information

5-Hydroxyuridine

5-hydroxyuridine is a member of the class of uridines that is uridine in which the hydrogen at position 5 of the uracil ring is substituted by a hydroxy group. It is a member of uridines and an organic hydroxy compound.

CAS Number957-77-7
PubChem CID94196
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrimidine-2,4-dione
Molecular FormulaC9H12N2O7
Molecular Weight260.20
XLogP-2.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity410
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5-,6-,8-/m1/s1
InChIKey
QXDXBKZJFLRLCM-UAKXSSHOSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxyuridine
CAS: 957-77-7
CID: 94196
Formula: C9H12N2O7
MW: 260.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.20
XLogP3-2.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass260.06445073
Monoisotopic Mass260.06445073
Topological Polar Surface Area140 Ų
Heavy Atom Count18
Formal Charge0
Complexity410
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

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