Rasburicase

Synopsis, Chemistry

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Also known as: 9002-12-4, Azane;[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate, Oxidase, urate, Uricase, candida utilis, Mfcd00082126, Ft-0686693

Molecular Formula

C₁₈H₂₆N₅O₁₄P

Molecular Weight

567.4 g/mol

InChI Key

VPXDHZMLJOJKOX-UHFFFAOYSA-N

An enzyme that catalyzes the conversion of urate and unidentified products. It is a copper protein. The initial products decompose to form allantoin. EC 1.7.3.3.

1 2D Structure

Rasburicase

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azane;[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

2.1.2 InChI

InChI=1S/C18H23N4O14P.H3N/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29;/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30);1H3

2.1.3 InChI Key

VPXDHZMLJOJKOX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)CO)O)O.N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Oxidase, Urate

2. Urate Oxidase

3. Uricase

2.2.2 Depositor-Supplied Synonyms

1. 9002-12-4

2. Azane;[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] Hydrogen Phosphate

3. Oxidase, Urate

4. Uricase, Candida Utilis

5. Mfcd00082126

6. Ft-0686693

7. Ft-0772402

8. Uricase From Bacillus Fastidiosus, Lyophilized, ~9 U/mg

9. Uricase From Arthrobacter Globiformis, Lyophilized Powder, 15-30 Units/mg Protein (biuret)

10. Uricase From Candida Sp., Recombinant, Expressed In E. Coli, Lyophilized Powder, >=2 Units/mg Solid

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₆N₅O₁₄P
Molecular Weight	567.4 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Exact Mass	567.12138752 g/mol
Monoisotopic Mass	567.12138752 g/mol
Topological Polar Surface Area	255 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2