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Orotidine

CAT: 0926-NO08048-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-NO08048-01Size:1 mg
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CAS Number
314-50-1
Synonyms
1,2,3,6-Tetrahydro-2,6-dioxo-3-beta-D-ribofuranosyl-4-pyrimidinecarboxylic acid; 6-Carboxyuridine
MDL Number
MFCD00057418
Smiles
C1=C (N (C (=O) NC1=O) [C@H]2[C@@H] ([C@@H] ([C@H] (O2) CO) O) O) C (=O) O
Molecular Formula
C10H12N2O8
Molecular Weight
288.21 g/mol
Controlled
No

Chemical Information

Orotidine

Orotidine is a nucleoside formed by attaching orotic acid to a ribose ring via a betaN(1)-glycosidic bond. It has a role as a plant metabolite, a fungal metabolite and a bacterial metabolite. It is a pyrimidinemonocarboxylic acid, a member of uridines and a nucleoside.

CAS Number314-50-1
PubChem CID92751
IUPAC Name3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
Molecular FormulaC10H12N2O8
Molecular Weight288.21
XLogP-2.6
Topological Polar Surface Area157
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity490
SMILES
C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O
InChI
InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1
InChIKey
FKCRAVPPBFWEJD-XVFCMESISA-N
Chemical Structure
2D Structure
2D structure of Orotidine
CAS: 314-50-1
CID: 92751
Formula: C10H12N2O8
MW: 288.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.21
XLogP3-2.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass288.05936535
Monoisotopic Mass288.05936535
Topological Polar Surface Area157 Ų
Heavy Atom Count20
Formal Charge0
Complexity490
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

Alternative Products

CatalogName
BA7569-1Orotidine
A18686-10Orotidine 10mg
A18686-5Orotidine 5mg
A18686-1Orotidine 1mg
A18686-50Orotidine 50mg
T39626Orotidine 5′-monophosphate
HY-CE01637Orotidine-5'-monophosphate-CoA
318528-01Orotidine 5'-phosphate decarboxylase
MBS5817588Orotidine 5'-monophosphate trisodium
HY-N8060A-01Orotidine 5′-monophosphate (trisodium)

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