chempirical

Sodium prasterone sulfate

C19H27NaO5SCAS 1099-87-2390.47 g/mol

Open in Covalent MOL file
OSO−OOONa+
AlkeneKetone

Properties

Molecular formula
C19H27NaO5S
Molar mass
390.47 g/mol
Exact mass
390.1477 Da
Melting point
154 °C (decomposes)
logP
3.33Crippen estimate
Polar surface area
80.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2
Stereocentres
S, S, R, S, R, Sin SMILES atom order

Identifiers

CAS number
1099-87-2
SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS([O-])(=O)=O)CC[C@]34C)[C@@H]1CCC2=O.[Na+]
InChIKey
LCLCCCKZRQRRTC-ZJTJBYBXSA-N
InChI
InChI=1S/C19H28O5S.Na/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;/h3,13-16H,4-11H2,1-2H3,(H,21,22,23);/t13-,14-,15-,16-,18-,19-;/m0./s1

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

Names and synonyms

13 names · show all
  • Androst-5-en-17-one, 3-(sulfooxy)-, sodium salt (1:1), (3β)-
  • Androst-5-en-17-one, 3β-hydroxy-, hydrogen sulfate, sodium salt
  • Androst-5-en-17-one, 3-(sulfooxy)-, sodium salt, (3β)-
  • Dehydroepiandrosterone sulfate sodium salt
  • Dehydroisoandrosterone sulfate sodium salt
  • Sodium dehydroepiandrosterone-3-sulfate
  • Sodium dehydroepiandrosterone sulfate
  • Mylis
  • Teloin
  • Prasterone sodium sulfate
  • DHA-S
  • NSC 72822
  • DHEA sulfate sodium salt

Work with Sodium prasterone sulfate

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

3β-Acetoxyandrost-5-en-17-one853-23-666 % similar Dehydroepiandrosterone53-43-058 % similar (3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate114611-53-947 % similar 16-Dehydropregnenolone acetate979-02-246 % similar Conjugated estrogens12126-59-946 % similar Pregnenolone acetate1778-02-544 % similar 4-Dehydroepiandrosterone571-44-844 % similar Androstenedione63-05-843 % similar

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

Elsewhere

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