estradiol valerate
C₂₃H₃₂O₃·356.500 g/mol·CID 13791
IUPAC: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
Also known as: 979-32-8, Estradiol 17-valerate, Delestrogen, Climaval, Oestradiol valerate (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
356.500g/mol
Exact Mass
356.235145Da
Monoisotopic Mass
356.235145Da
XLogP
6.0
Polar Surface Area
46.5Ų
Complexity
518
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
5
Heavy Atoms
26
Stereo Centers
5
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 356.5 g/mol
MW ≤ 500
✗ 6.0
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
GHS Hazard Classification
Danger
Hazards
H302Harmful if swallowedH312Harmful in contact with skinH332Harmful if inhaledH351Suspected of causing cancerH360May damage fertility or the unborn child
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1