CID 90890900

C25H37FO5 — CID 90890900

IUPAC—
SMILESCC.C[C@@H]1C[C@@H]2C(C[C@H](O)[C@@]3(F)[C@H]2CCC2=CCC=C[C@@]23C)[C@]12OCOC21COCO1
InChIInChI=1S/C23H31FO5.C2H6/c1-14-9-16-17-7-6-15-5-3-4-8-20(15,2)22(17,24)19(25)10-18(16)23(14)21(28-13-29-23)11-26-12-27-21;1-2/h4-5,8,14,16-19,25H,3,6-7,9-13H2,1-2H3;1-2H3/t14-,16+,17+,18?,19+,20+,21?,22+,23-;/m1./s1
InChIKeyMYEVRCHQQRFVBJ-URXWSRPDSA-N
MW436.56 g/mol
LogP4.50
Rot. Bonds

About CID 90890900

CID 90890900 (PubChem CID 90890900) has the molecular formula C25H37FO5 and a molecular weight of 436.56 g/mol.

Molecular Properties

Compound NameCID 90890900
PubChem CID90890900
Molecular FormulaC25H37FO5
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name—
SMILESCC.C[C@@H]1C[C@@H]2C(C[C@H](O)[C@@]3(F)[C@H]2CCC2=CCC=C[C@@]23C)[C@]12OCOC21COCO1
InChIInChI=1S/C23H31FO5.C2H6/c1-14-9-16-17-7-6-15-5-3-4-8-20(15,2)22(17,24)19(25)10-18(16)23(14)21(28-13-29-23)11-26-12-27-21;1-2/h4-5,8,14,16-19,25H,3,6-7,9-13H2,1-2H3;1-2H3/t14-,16+,17+,18?,19+,20+,21?,22+,23-;/m1./s1
InChIKeyMYEVRCHQQRFVBJ-URXWSRPDSA-N
XLogP4.50
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 91523403
(8S,9R,10S,13S,14S,17S)-9-fluoro-17-(2-hydroxyethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthrene-11,16,17-triol
CID 70611161
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CID 91156427
CID 91156427
CID 90835718
CID 90835718
2-[(1S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetaldehyde
CID 143581482
CID 91307800
CID 91307800
CID 59809883
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[9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[2-[2-(2-propoxyethoxy)acetyl]oxyacetyl]-6,7,8,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-17-yl] pentanoate
CID 91234888
(8S,9R,10S,13R,14S,16S,17R)-17-ethyl-9-fluoro-10,13,16-trimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 22810958
(1R,2S,10S,11S,13S,14R,15S)-14-(2-chloroethyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-ol
CID 141384200
CID 91001940
CID 91001940

Frequently Asked Questions

What is the IUPAC name of CID 90890900?
The IUPAC name of CID 90890900 (CID 90890900) is not available.
What is the SMILES notation for CID 90890900?
The canonical SMILES for CID 90890900 is CC.C[C@@H]1C[C@@H]2C(C[C@H](O)[C@@]3(F)[C@H]2CCC2=CCC=C[C@@]23C)[C@]12OCOC21COCO1.
What is the InChIKey of CID 90890900?
The InChIKey is MYEVRCHQQRFVBJ-URXWSRPDSA-N. The full InChI is InChI=1S/C23H31FO5.C2H6/c1-14-9-16-17-7-6-15-5-3-4-8-20(15,2)22(17,24)19(25)10-18(16)23(14)21(28-13-29-23)11-26-12-27-21;1-2/h4-5,8,14,16-19,25H,3,6-7,9-13H2,1-2H3;1-2H3/t14-,16+,17+,18?,19+,20+,21?,22+,23-;/m1./s1.
What are the key properties of CID 90890900?
CID 90890900 has a molecular weight of 436.56 g/mol, XLogP of 4.50, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90890900 is sourced from PubChem (CID 90890900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).