2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C13H18FNO7 — CID 144871468

IUPAC2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(NF)c1
InChIInChI=1S/C13H18FNO7/c14-15-7-3-6(4-16)1-2-8(7)21-13-12(20)11(19)10(18)9(5-17)22-13/h1-3,9-13,15-20H,4-5H2
InChIKeyUVRQNMYNLAHBRE-UHFFFAOYSA-N
MW319.29 g/mol
LogP-1.35
Rot. Bonds5

About 2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 144871468) has the molecular formula C13H18FNO7 and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID144871468
Molecular FormulaC13H18FNO7
Molecular Weight319.29 g/mol
Exact Mass319.11
IUPAC Name2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(NF)c1
InChIInChI=1S/C13H18FNO7/c14-15-7-3-6(4-16)1-2-8(7)21-13-12(20)11(19)10(18)9(5-17)22-13/h1-3,9-13,15-20H,4-5H2
InChIKeyUVRQNMYNLAHBRE-UHFFFAOYSA-N
XLogP-1.35
TPSA131.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.29
LogP ≤ 5-1.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 144871468) is 2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(NF)c1.
What is the InChIKey of 2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is UVRQNMYNLAHBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO7/c14-15-7-3-6(4-16)1-2-8(7)21-13-12(20)11(19)10(18)9(5-17)22-13/h1-3,9-13,15-20H,4-5H2.
What are the key properties of 2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 319.29 g/mol, XLogP of -1.35, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoroamino)-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 144871468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).