CID 59809883

C25H33FO7 — CID 59809883

IUPAC—
SMILESC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C(C=O)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]12OCOC21COCO1
InChIInChI=1S/C25H33FO7/c1-14-6-18-17-5-4-16-7-19(28)15(10-27)8-21(16,2)24(17,26)20(29)9-22(18,3)25(14)23(32-13-33-25)11-30-12-31-23/h7,10,14-15,17-18,20,29H,4-6,8-9,11-13H2,1-3H3/t14-,15?,17-,18-,20-,21-,22-,23?,24-,25+/m0/s1
InChIKeyZUDYDZZHBMRXAP-OLPHIQTASA-N
MW464.53 g/mol
LogP2.70
Rot. Bonds1

About CID 59809883

CID 59809883 (PubChem CID 59809883) has the molecular formula C25H33FO7 and a molecular weight of 464.53 g/mol.

Molecular Properties

Compound NameCID 59809883
PubChem CID59809883
Molecular FormulaC25H33FO7
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name—
SMILESC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C(C=O)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]12OCOC21COCO1
InChIInChI=1S/C25H33FO7/c1-14-6-18-17-5-4-16-7-19(28)15(10-27)8-21(16,2)24(17,26)20(29)9-22(18,3)25(14)23(32-13-33-25)11-30-12-31-23/h7,10,14-15,17-18,20,29H,4-6,8-9,11-13H2,1-3H3/t14-,15?,17-,18-,20-,21-,22-,23?,24-,25+/m0/s1
InChIKeyZUDYDZZHBMRXAP-OLPHIQTASA-N
XLogP2.70
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 59810078
CID 59810078
9-fluoro-2-formyl-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid
CID 91607917
CID 59835318
CID 59835318
CID 70928686
CID 70928686
9-fluoro-2-formyl-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid
CID 91483573
CID 91156427
CID 91156427
CID 90835718
CID 90835718
CID 58701600
CID 58701600
CID 91523403
CID 91523403
CID 91001940
CID 91001940
[(8S,9S,10S,13S,14S)-9-fluoro-11-hydroxy-10,13,16,17-tetramethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxymethanethioic S-acid
CID 88746953
SCHEMBL2077084
CID 59810282

Frequently Asked Questions

What is the IUPAC name of CID 59809883?
The IUPAC name of CID 59809883 (CID 59809883) is not available.
What is the SMILES notation for CID 59809883?
The canonical SMILES for CID 59809883 is C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C(C=O)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]12OCOC21COCO1.
What is the InChIKey of CID 59809883?
The InChIKey is ZUDYDZZHBMRXAP-OLPHIQTASA-N. The full InChI is InChI=1S/C25H33FO7/c1-14-6-18-17-5-4-16-7-19(28)15(10-27)8-21(16,2)24(17,26)20(29)9-22(18,3)25(14)23(32-13-33-25)11-30-12-31-23/h7,10,14-15,17-18,20,29H,4-6,8-9,11-13H2,1-3H3/t14-,15?,17-,18-,20-,21-,22-,23?,24-,25+/m0/s1.
What are the key properties of CID 59809883?
CID 59809883 has a molecular weight of 464.53 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59809883 is sourced from PubChem (CID 59809883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).