(3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite

C7H11FO5 — CID 170785736

IUPAC(3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite
SMILESC=C1OC(COF)C(O)C(O)C1O
InChIInChI=1S/C7H11FO5/c1-3-5(9)7(11)6(10)4(13-3)2-12-8/h4-7,9-11H,1-2H2
InChIKeyLNPVAOZWXFCTNB-UHFFFAOYSA-N
MW194.16 g/mol
LogP-1.12
Rot. Bonds2

About (3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite

(3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite (PubChem CID 170785736) has the molecular formula C7H11FO5 and a molecular weight of 194.16 g/mol. Its IUPAC name is (3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite.

Molecular Properties

Compound Name(3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite
PubChem CID170785736
Molecular FormulaC7H11FO5
Molecular Weight194.16 g/mol
Exact Mass194.06
IUPAC Name(3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite
SMILESC=C1OC(COF)C(O)C(O)C1O
InChIInChI=1S/C7H11FO5/c1-3-5(9)7(11)6(10)4(13-3)2-12-8/h4-7,9-11H,1-2H2
InChIKeyLNPVAOZWXFCTNB-UHFFFAOYSA-N
XLogP-1.12
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol
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(2R,3R,4R)-2,5-bis(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
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2,6-Anhydro-7-deoxy--d-talo-hept-6-enitol
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Frequently Asked Questions

What is the IUPAC name of (3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite?
The IUPAC name of (3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite (CID 170785736) is (3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite.
What is the SMILES notation for (3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite?
The canonical SMILES for (3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite is C=C1OC(COF)C(O)C(O)C1O.
What is the InChIKey of (3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite?
The InChIKey is LNPVAOZWXFCTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO5/c1-3-5(9)7(11)6(10)4(13-3)2-12-8/h4-7,9-11H,1-2H2.
What are the key properties of (3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite?
(3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite has a molecular weight of 194.16 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite is sourced from PubChem (CID 170785736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).