[(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite

C14H16FNO6 — CID 68529814

IUPAC[(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite
SMILESO[C@@H]1[C@@H](Oc2cc3ccccc3[nH]2)[C@@H](O)[C@@H](COF)O[C@@H]1O
InChIInChI=1S/C14H16FNO6/c15-20-6-9-11(17)13(12(18)14(19)21-9)22-10-5-7-3-1-2-4-8(7)16-10/h1-5,9,11-14,16-19H,6H2/t9-,11+,12-,13+,14+/m1/s1
InChIKeyQNHDKOFEOZKCRM-NGBXAZJTSA-N
MW313.28 g/mol
LogP0.26
Rot. Bonds4

About [(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite

[(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite (PubChem CID 68529814) has the molecular formula C14H16FNO6 and a molecular weight of 313.28 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite
PubChem CID68529814
Molecular FormulaC14H16FNO6
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name[(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite
SMILESO[C@@H]1[C@@H](Oc2cc3ccccc3[nH]2)[C@@H](O)[C@@H](COF)O[C@@H]1O
InChIInChI=1S/C14H16FNO6/c15-20-6-9-11(17)13(12(18)14(19)21-9)22-10-5-7-3-1-2-4-8(7)16-10/h1-5,9,11-14,16-19H,6H2/t9-,11+,12-,13+,14+/m1/s1
InChIKeyQNHDKOFEOZKCRM-NGBXAZJTSA-N
XLogP0.26
TPSA104.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite?
The IUPAC name of [(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite (CID 68529814) is [(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite.
What is the SMILES notation for [(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite?
The canonical SMILES for [(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite is O[C@@H]1[C@@H](Oc2cc3ccccc3[nH]2)[C@@H](O)[C@@H](COF)O[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite?
The InChIKey is QNHDKOFEOZKCRM-NGBXAZJTSA-N. The full InChI is InChI=1S/C14H16FNO6/c15-20-6-9-11(17)13(12(18)14(19)21-9)22-10-5-7-3-1-2-4-8(7)16-10/h1-5,9,11-14,16-19H,6H2/t9-,11+,12-,13+,14+/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite?
[(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite has a molecular weight of 313.28 g/mol, XLogP of 0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6S)-3,5,6-trihydroxy-4-(1H-indol-2-yloxy)oxan-2-yl]methyl hypofluorite is sourced from PubChem (CID 68529814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).