chempirical

Disodium uridine diphosphoglucose

C15H22N2Na2O17P2CAS 28053-08-9610.27 g/mol

Open in Covalent MOL file
O−POOONOHNOHOHOOPO−OOOOHOHOHHONa+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C15H22N2Na2O17P2
Molar mass
610.27 g/mol
Exact mass
610.0189 Da
logP
-5.14Crippen estimate
Polar surface area
297.3 Ų
H-bond donors / acceptors
9 / 16
Rotatable bonds
9
Stereocentres
R, R, R, S, R, R, S, S, Rin SMILES atom order

Identifiers

CAS number
28053-08-9
SMILES
[O-]P(=O)(OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O)OP([O-])(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[Na+].[Na+]
InChIKey
ZIEBASYWDSMHND-QBNUFUENSA-N
InChI
InChI=1S/C15H24N2O17P2.2Na/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25;;/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25);;/t5-,6-,8-,9-,10+,11-,12-,13-,14-;;/m1../s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Uridine 5′-(trihydrogen diphosphate), P′-α-D-glucopyranosyl ester, sodium salt (1:2)
  • Uridine 5′-(trihydrogen pyrophosphate), mono-α-D-glucopyranosyl ester, disodium salt
  • Uridine 5′-(trihydrogen diphosphate), P′-α-D-glucopyranosyl ester, disodium salt
  • Disodium UDP-glucose
  • Uridine 5′-diphosphoglucose disodium

Work with Disodium uridine diphosphoglucose

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

Similar compounds

Uridine-5′-triphosphate trisodium salt19817-92-671 % similar Uridine-5′-diphosphate disodium salt27821-45-071 % similar Uridine-5'-diphosphoglucose disodium117756-22-670 % similar Disodium ump3387-36-866 % similar Guanosine 5′-(trihydrogen diphosphate), P′-D-mannopyranosyl ester, disodium salt103301-73-162 % similar Uracil arabinoside3083-77-062 % similar Uridine58-96-862 % similar Uridine monophosphate58-97-958 % similar

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

Elsewhere

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