UDP-a-D-Galactose disodium salt

C15H22N2Na2O17P2CAS 137868-52-1610.27 g/mol

Open in Covalent MOL file
NONHOOOPOO−OPOO−OOOHOHOHOHOHHONa+Na+
AlcoholEtherPhosphate

Properties

Molecular formula
C15H22N2Na2O17P2
Molar mass
610.27 g/mol
Exact mass
610.0189 Da
logP
-12.05Crippen estimate
Polar surface area
302.7 Ų
H-bond donors / acceptors
7 / 17
Rotatable bonds
9
Stereocentres
R, R, S, R, R, R, S, R, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
137868-52-1
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)O)O)O.[Na+].[Na+]
InChIKey
PKJQEQVCYGYYMM-QKYKBPIOSA-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/t5-,6-,8+,9-,10+,11-,12-,13-,14-;;/m1../s1

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Names and synonyms

1 names
  • Udp-alpha-D-galactose disodium salt

Work with UDP-a-D-Galactose disodium salt

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.

Uridine-5'-diphosphoglucose disodium117756-22-6Stereo not defined

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

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