chempirical

Hydrocortisone sodium phosphate

C21H29Na2O8PCAS 6000-74-4486.41 g/mol

Open in Covalent MOL file
OHOOOPO−O−OOHNa+Na+
AlcoholAlkeneKetonePhosphate

Properties

Molecular formula
C21H29Na2O8P
Molar mass
486.41 g/mol
Exact mass
486.1395 Da
logP
1.14Crippen estimate
Polar surface area
141.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4
Stereocentres
R, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
6000-74-4
SMILES
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]3(C)C[C@H](O)[C@H]21.[Na+].[Na+]
InChIKey
KKFIZYONMZSRGA-OJJGEMKLSA-N
InChI
InChI=1S/C21H31O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1

Weigh it out

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

Names and synonyms

18 names · show all
  • Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, sodium salt (1:2), (11β)-
  • Cortisol, 21-(dihydrogen phosphate), disodium salt
  • Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11β)-
  • Cortisol 21-phosphate disodium salt
  • Disodium hydrocortisone 21-phosphate
  • Hydrocortisone disodium phosphate
  • Hydrocortisone 21-phosphate disodium salt
  • Hydrocortisone 21-phosphate disodium
  • Physiocortison
  • Cortisol sodium phosphate
  • Hydrocortisone 21-sodium phosphate
  • Sodium hydrocortisone 21-phosphate
  • Sodium cortisol 21-phosphate
  • Hydrocortisone 21-disodium phosphate
  • Cleiton
  • Hydrocortisone 21-disodium salt
  • Hydrocortone phosphate
  • Efcortesol

Work with Hydrocortisone sodium phosphate

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

Hydrocortisone sodium succinate125-04-273 % similar Hydrocortisone acetate50-03-371 % similar Prednisolone sodium phosphate125-02-070 % similar Cortisol50-23-769 % similar Hydrocortisone hemisuccinate2203-97-666 % similar 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-954 % similar 11-Deoxycortisol152-58-953 % similar Psi 352707-13C,D31256490-46-652 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook