CID 46883909

C18H17FNO5PS — CID 46883909

IUPAC—
SMILESO=C(N[C@@H](CO)Cc1cccc(F)c1)c1cc2ccccc2s1.O=P(=O)O
InChIInChI=1S/C18H16FNO2S.HO3P/c19-14-6-3-4-12(8-14)9-15(11-21)20-18(22)17-10-13-5-1-2-7-16(13)23-17;1-4(2)3/h1-8,10,15,21H,9,11H2,(H,20,22);(H,1,2,3)/t15-;/m1./s1
InChIKeyXUBIUGCAICFSAW-XFULWGLBSA-N
MW409.38 g/mol
LogP3.44
Rot. Bonds5

About CID 46883909

CID 46883909 (PubChem CID 46883909) has the molecular formula C18H17FNO5PS and a molecular weight of 409.38 g/mol.

Molecular Properties

Compound NameCID 46883909
PubChem CID46883909
Molecular FormulaC18H17FNO5PS
Molecular Weight409.38 g/mol
Exact Mass409.05
IUPAC Name—
SMILESO=C(N[C@@H](CO)Cc1cccc(F)c1)c1cc2ccccc2s1.O=P(=O)O
InChIInChI=1S/C18H16FNO2S.HO3P/c19-14-6-3-4-12(8-14)9-15(11-21)20-18(22)17-10-13-5-1-2-7-16(13)23-17;1-4(2)3/h1-8,10,15,21H,9,11H2,(H,20,22);(H,1,2,3)/t15-;/m1./s1
InChIKeyXUBIUGCAICFSAW-XFULWGLBSA-N
XLogP3.44
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 46883909?
The IUPAC name of CID 46883909 (CID 46883909) is not available.
What is the SMILES notation for CID 46883909?
The canonical SMILES for CID 46883909 is O=C(N[C@@H](CO)Cc1cccc(F)c1)c1cc2ccccc2s1.O=P(=O)O.
What is the InChIKey of CID 46883909?
The InChIKey is XUBIUGCAICFSAW-XFULWGLBSA-N. The full InChI is InChI=1S/C18H16FNO2S.HO3P/c19-14-6-3-4-12(8-14)9-15(11-21)20-18(22)17-10-13-5-1-2-7-16(13)23-17;1-4(2)3/h1-8,10,15,21H,9,11H2,(H,20,22);(H,1,2,3)/t15-;/m1./s1.
What are the key properties of CID 46883909?
CID 46883909 has a molecular weight of 409.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46883909 is sourced from PubChem (CID 46883909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).