UDP-GalNAz disodium

C₁₇H₂₄N₆Na₂O₁₇P₂CAS 653600-61-4692.33 g/mol

Open in Covalent MOL file

Alcohol Amide Azide Ether Phosphate

Properties

Molecular formula: C₁₇H₂₄N₆Na₂O₁₇P₂
Molar mass: 692.33 g/mol
Exact mass: 692.0469 Da
logP: -11.62Crippen estimate
Polar surface area: 360.3 Å²
H-bond donors / acceptors: 7 / 18
Rotatable bonds: 12
Stereocentres: R, R, S, R, R, R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

653600-61-4

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)CO)O)O)NC(=O)CN=[N+]=[N-])O)O.[Na+].[Na+]

InChIKey

XGTPLFSPWJKVQB-SGNQCPJASA-L

InChI

InChI=1S/C17H26N6O17P2.2Na/c18-22-19-3-9(26)20-10-13(29)11(27)6(4-24)38-16(10)39-42(34,35)40-41(32,33)36-5-7-12(28)14(30)15(37-7)23-2-1-8(25)21-17(23)31;;/h1-2,6-7,10-16,24,27-30H,3-5H2,(H,20,26)(H,32,33)(H,34,35)(H,21,25,31);;/q;2*+1/p-2/t6-,7-,10-,11+,12-,13-,14-,15-,16-;;/m1../s1

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Names and synonyms

1 names

Udp-galnaz.2na

Work with UDP-GalNAz disodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Udp-glcnaz disodium1611490-64-2Diastereomer

Similar compounds

Uridine-5'-diphosphoglucose disodium117756-22-670 % similar UDP-a-D-Galactose disodium salt137868-52-170 % similar Diquafosol tetrasodium211427-08-660 % similar Uridine 5'-triphosphate disodium salt285978-18-952 % similar Disodium uridine diphosphoglucose28053-08-951 % similar Urate oxidase9002-12-449 % similar L-Uridine26287-69-446 % similar Guanosine 5′-(trihydrogen diphosphate), P′-D-mannopyranosyl ester, disodium salt103301-73-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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