Uridine-5'-diphosphoglucose disodium

C₁₅H₂₂N₂Na₂O₁₇P₂CAS 117756-22-6610.27 g/mol

Open in Covalent MOL file

Alcohol Ether Phosphate

Properties

Molecular formula: C₁₅H₂₂N₂Na₂O₁₇P₂
Molar mass: 610.27 g/mol
Exact mass: 610.0189 Da
logP: -12.05Crippen estimate
Polar surface area: 302.7 Å²
H-bond donors / acceptors: 7 / 17
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

117756-22-6

SMILES

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OC3C(C(C(C(O3)CO)O)O)O)O)O.[Na+].[Na+]

InChIKey

PKJQEQVCYGYYMM-UHFFFAOYSA-L

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);;/q;2*+1/p-2

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Names and synonyms

1 names

Uridine 5'-diphosphoglucose disodium salt

Work with Uridine-5'-diphosphoglucose 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-a-D-Galactose disodium salt137868-52-1Defined stereoisomer

Similar compounds

Diquafosol tetrasodium211427-08-678 % similar Udp-glcnaz disodium1611490-64-270 % similar UDP-GalNAz disodium653600-61-470 % similar Disodium uridine diphosphoglucose28053-08-970 % similar Uridine 5'-triphosphate disodium salt285978-18-966 % similar L-Uridine26287-69-461 % similar Urate oxidase9002-12-460 % similar Guanosine 5′-(trihydrogen diphosphate), P′-D-mannopyranosyl ester, disodium salt103301-73-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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