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UDP-D-glucuronide ammonium salt

CAT: 0926-MU46744-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-MU46744-01Size:50 mg
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CAS Number
43195-60-4
Synonyms
UDP-GlcA; Uridine 5'-diphosphate glucuronic acid ammonium salt; Uridine[5?]diphospho[1]-?-D-glucopyranosuronic acid ammonium salt; UDPG A
Smiles
C1=CN (C (=O) NC1=O) [C@H]2[C@@H] ([C@@H] ([C@H] (O2) COP (=O) (O) OP (=O) (O) O[C@@H]3[C@@H] ([C@H] ([C@@H] ([C@H] (O3) C (=O) O) O) O) O) O) O.N
Molecular Formula
C15H22N2O18P2·xNH3
Molecular Weight
580.29 g/mol
Controlled
No

Chemical Information

Udp-D-glucuronide ammonium salt
CAS Number43195-60-4
PubChem CID71312081
IUPAC Nameazane;(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC15H25N3O18P2
Molecular Weight597.32
Topological Polar Surface Area310
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity1040
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O.N
InChI
InChI=1S/C15H22N2O18P2.H3N/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25;/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26);1H3/t4-,6-,7+,8+,9-,10-,11+,12-,14-;/m1./s1
InChIKey
WMWKTCPGFOEPBD-YGIWDPDDSA-N
Chemical Structure
2D Structure
2D structure of Udp-D-glucuronide ammonium salt
CAS: 43195-60-4
CID: 71312081
Formula: C15H25N3O18P2
MW: 597.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.32
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count9
Exact Mass597.06083495
Monoisotopic Mass597.06083495
Topological Polar Surface Area310 Ų
Heavy Atom Count38
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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