CID 175934679

C10H12F2N2NaO6S — CID 175934679

IUPAC—
SMILESO=C1N2OS(=O)(=O)O[C@]3(C(F)(F)C4COC4)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C10H12F2N2O6S.Na/c11-10(12,6-4-18-5-6)9-2-1-7-3-13(9)8(15)14(7)20-21(16,17)19-9;/h6-7H,1-5H2;/t7-,9+;/m1./s1
InChIKeyODYUPLDXYMQQPM-JXLXBRSFSA-N
MW349.27 g/mol
LogP-0.31
Rot. Bonds2

About CID 175934679

CID 175934679 (PubChem CID 175934679) has the molecular formula C10H12F2N2NaO6S and a molecular weight of 349.27 g/mol.

Molecular Properties

Compound NameCID 175934679
PubChem CID175934679
Molecular FormulaC10H12F2N2NaO6S
Molecular Weight349.27 g/mol
Exact Mass349.03
IUPAC Name—
SMILESO=C1N2OS(=O)(=O)O[C@]3(C(F)(F)C4COC4)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C10H12F2N2O6S.Na/c11-10(12,6-4-18-5-6)9-2-1-7-3-13(9)8(15)14(7)20-21(16,17)19-9;/h6-7H,1-5H2;/t7-,9+;/m1./s1
InChIKeyODYUPLDXYMQQPM-JXLXBRSFSA-N
XLogP-0.31
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5R)-2-[difluoro(oxetan-3-yl)methyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 151958386
sodium;[(2S,5R)-2-[difluoro(oxetan-3-yl)methyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 161090628
CID 175934662
CID 175934662
(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-[difluoro(oxetan-3-yl)methyl]-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934680

Frequently Asked Questions

What is the IUPAC name of CID 175934679?
The IUPAC name of CID 175934679 (CID 175934679) is not available.
What is the SMILES notation for CID 175934679?
The canonical SMILES for CID 175934679 is O=C1N2OS(=O)(=O)O[C@]3(C(F)(F)C4COC4)CC[C@@H]2CN13.[Na].
What is the InChIKey of CID 175934679?
The InChIKey is ODYUPLDXYMQQPM-JXLXBRSFSA-N. The full InChI is InChI=1S/C10H12F2N2O6S.Na/c11-10(12,6-4-18-5-6)9-2-1-7-3-13(9)8(15)14(7)20-21(16,17)19-9;/h6-7H,1-5H2;/t7-,9+;/m1./s1.
What are the key properties of CID 175934679?
CID 175934679 has a molecular weight of 349.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175934679 is sourced from PubChem (CID 175934679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).