CID 175934677

C8H10F2N2NaO6S — CID 175934677

IUPAC—
SMILESO=C1N2OS(=O)(=O)O[C@]3(C(F)(F)CO)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C8H10F2N2O6S.Na/c9-7(10,4-13)8-2-1-5-3-11(8)6(14)12(5)18-19(15,16)17-8;/h5,13H,1-4H2;/t5-,8+;/m1./s1
InChIKeyUPCWGWUDVHFKLM-VJTHFYIZSA-N
MW323.23 g/mol
LogP-0.96
Rot. Bonds2

About CID 175934677

CID 175934677 (PubChem CID 175934677) has the molecular formula C8H10F2N2NaO6S and a molecular weight of 323.23 g/mol.

Molecular Properties

Compound NameCID 175934677
PubChem CID175934677
Molecular FormulaC8H10F2N2NaO6S
Molecular Weight323.23 g/mol
Exact Mass323.01
IUPAC Name—
SMILESO=C1N2OS(=O)(=O)O[C@]3(C(F)(F)CO)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C8H10F2N2O6S.Na/c9-7(10,4-13)8-2-1-5-3-11(8)6(14)12(5)18-19(15,16)17-8;/h5,13H,1-4H2;/t5-,8+;/m1./s1
InChIKeyUPCWGWUDVHFKLM-VJTHFYIZSA-N
XLogP-0.96
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5R)-2-(1,1-difluoro-2-hydroxyethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 150227555
sodium;[(2S,5R)-7-oxo-2-(2,2,2-trifluoro-1-hydroxyethyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 157290089
sodium;[(2S,5R)-2-(1,1-difluoro-2-hydroxyethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 159913350
CID 175934662
CID 175934662
CID 175934672
CID 175934672
(7S,10R)-7-(1,1-difluoro-2-methoxyethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934663
(7S,10R)-7-(1,1-difluoroethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934673
(7S,10R)-7-(1,1-difluoro-2-hydroxyethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934678
CID 175934670
CID 175934670

Frequently Asked Questions

What is the IUPAC name of CID 175934677?
The IUPAC name of CID 175934677 (CID 175934677) is not available.
What is the SMILES notation for CID 175934677?
The canonical SMILES for CID 175934677 is O=C1N2OS(=O)(=O)O[C@]3(C(F)(F)CO)CC[C@@H]2CN13.[Na].
What is the InChIKey of CID 175934677?
The InChIKey is UPCWGWUDVHFKLM-VJTHFYIZSA-N. The full InChI is InChI=1S/C8H10F2N2O6S.Na/c9-7(10,4-13)8-2-1-5-3-11(8)6(14)12(5)18-19(15,16)17-8;/h5,13H,1-4H2;/t5-,8+;/m1./s1.
What are the key properties of CID 175934677?
CID 175934677 has a molecular weight of 323.23 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175934677 is sourced from PubChem (CID 175934677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).