chempirical

Udp-glcnaz disodium

C17H24N6Na2O17P2CAS 1611490-64-2692.33 g/mol

Open in Covalent MOL file
NONHOOOPOO−OPOO−OOHOOHOHHNONN+N−OHHONa+Na+
AlcoholAmideAzideEtherPhosphate

Properties

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

Identifiers

CAS number
1611490-64-2
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-XZUZBEIXSA-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-glcnaz.2na

Work with Udp-glcnaz 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

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

Elsewhere

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