Diquafosol

C18H26N4O23P4CAS 59985-21-6790.31 g/mol

Open in Covalent MOL file
ONOHNOOPOOHOPOOHOPOOHOPOOHOONHONOHOOHHOOH
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C18H26N4O23P4
Molar mass
790.31 g/mol
Exact mass
789.9938 Da
logP
-3.37Crippen estimate
Polar surface area
405.0 Ų
H-bond donors / acceptors
10 / 21
Rotatable bonds
14
Stereocentres
R, R, R, R, R, S, S, 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
59985-21-6
SMILES
O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIKey
NMLMACJWHPHKGR-NCOIDOBVSA-N
InChI
InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1

Weigh it out

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

Names and synonyms

2 names
  • Uridine 5′-(pentahydrogen tetraphosphate), P′′′→5′-ester with uridine
  • P1,P4-Diuridine 5′-tetraphosphate

Work with Diquafosol

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 triphosphate63-39-891 % similar Uridine diphosphate58-98-087 % similar UDP-arabinose15839-78-879 % similar Uridine monophosphate58-97-976 % similar Disodium UMP3387-36-868 % similar Uridine-5′-diphosphate disodium salt27821-45-066 % similar Uridine-5′-triphosphate trisodium salt19817-92-664 % similar 5′-CTP65-47-464 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia