(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

C25H40FNO5 — CID 142887861

IUPAC(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SMILESCC1(C)COC(CO)([C@@]2(O)CCC3C4CCC5CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N1
InChIInChI=1S/C25H40FNO5/c1-20(2)14-32-24(13-28,27-20)23(31)10-8-17-18-6-5-15-11-16(29)7-9-21(15,3)25(18,26)19(30)12-22(17,23)4/h15,17-19,27-28,30-31H,5-14H2,1-4H3/t15?,17?,18?,19-,21-,22-,23+,24?,25-/m0/s1
InChIKeyPGYZEDHOSFDIDY-LIZZLBLVSA-N
MW453.60 g/mol
LogP2.48
Rot. Bonds2

About (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one (PubChem CID 142887861) has the molecular formula C25H40FNO5 and a molecular weight of 453.60 g/mol. Its IUPAC name is (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
PubChem CID142887861
Molecular FormulaC25H40FNO5
Molecular Weight453.60 g/mol
Exact Mass453.29
IUPAC Name(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SMILESCC1(C)COC(CO)([C@@]2(O)CCC3C4CCC5CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N1
InChIInChI=1S/C25H40FNO5/c1-20(2)14-32-24(13-28,27-20)23(31)10-8-17-18-6-5-15-11-16(29)7-9-21(15,3)25(18,26)19(30)12-22(17,23)4/h15,17-19,27-28,30-31H,5-14H2,1-4H3/t15?,17?,18?,19-,21-,22-,23+,24?,25-/m0/s1
InChIKeyPGYZEDHOSFDIDY-LIZZLBLVSA-N
XLogP2.48
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.60
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one?
The IUPAC name of (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one (CID 142887861) is (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.
What is the SMILES notation for (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one?
The canonical SMILES for (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one is CC1(C)COC(CO)([C@@]2(O)CCC3C4CCC5CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N1.
What is the InChIKey of (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one?
The InChIKey is PGYZEDHOSFDIDY-LIZZLBLVSA-N. The full InChI is InChI=1S/C25H40FNO5/c1-20(2)14-32-24(13-28,27-20)23(31)10-8-17-18-6-5-15-11-16(29)7-9-21(15,3)25(18,26)19(30)12-22(17,23)4/h15,17-19,27-28,30-31H,5-14H2,1-4H3/t15?,17?,18?,19-,21-,22-,23+,24?,25-/m0/s1.
What are the key properties of (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one?
(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one has a molecular weight of 453.60 g/mol, XLogP of 2.48, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxymethyl)-4,4-dimethyl-1,3-oxazolidin-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 142887861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).