2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid

C8H16FO6P — CID 167491430

IUPAC2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid
SMILESOC1C(O)[C@H](O)C(CCP(O)O)C(F)[C@@H]1O
InChIInChI=1S/C8H16FO6P/c9-4-3(1-2-16(14)15)5(10)7(12)8(13)6(4)11/h3-8,10-15H,1-2H2/t3?,4?,5-,6+,7?,8?/m1/s1
InChIKeyKDSVTLWOQJHECL-QVNOZGMTSA-N
MW258.18 g/mol
LogP-1.92
Rot. Bonds3

About 2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid

2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid (PubChem CID 167491430) has the molecular formula C8H16FO6P and a molecular weight of 258.18 g/mol. Its IUPAC name is 2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid.

Molecular Properties

Compound Name2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid
PubChem CID167491430
Molecular FormulaC8H16FO6P
Molecular Weight258.18 g/mol
Exact Mass258.07
IUPAC Name2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid
SMILESOC1C(O)[C@H](O)C(CCP(O)O)C(F)[C@@H]1O
InChIInChI=1S/C8H16FO6P/c9-4-3(1-2-16(14)15)5(10)7(12)8(13)6(4)11/h3-8,10-15H,1-2H2/t3?,4?,5-,6+,7?,8?/m1/s1
InChIKeyKDSVTLWOQJHECL-QVNOZGMTSA-N
XLogP-1.92
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.18
LogP ≤ 5-1.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid?
The IUPAC name of 2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid (CID 167491430) is 2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid.
What is the SMILES notation for 2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid?
The canonical SMILES for 2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid is OC1C(O)[C@H](O)C(CCP(O)O)C(F)[C@@H]1O.
What is the InChIKey of 2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid?
The InChIKey is KDSVTLWOQJHECL-QVNOZGMTSA-N. The full InChI is InChI=1S/C8H16FO6P/c9-4-3(1-2-16(14)15)5(10)7(12)8(13)6(4)11/h3-8,10-15H,1-2H2/t3?,4?,5-,6+,7?,8?/m1/s1.
What are the key properties of 2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid?
2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid has a molecular weight of 258.18 g/mol, XLogP of -1.92, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid is sourced from PubChem (CID 167491430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).