(3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid

C7H11F3O7 — CID 160569565

IUPAC(3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C5H10O5.C2HF3O2/c6-2-1-10-5(9)4(8)3(2)7;3-2(4,5)1(6)7/h2-9H,1H2;(H,6,7)/t2-,3+,4-,5?;/m1./s1
InChIKeyRAJFOLOYJQTWFW-GJXHLSHESA-N
MW264.15 g/mol
LogP-1.95
Rot. Bonds

About (3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid

(3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid (PubChem CID 160569565) has the molecular formula C7H11F3O7 and a molecular weight of 264.15 g/mol. Its IUPAC name is (3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid
PubChem CID160569565
Molecular FormulaC7H11F3O7
Molecular Weight264.15 g/mol
Exact Mass264.05
IUPAC Name(3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C5H10O5.C2HF3O2/c6-2-1-10-5(9)4(8)3(2)7;3-2(4,5)1(6)7/h2-9H,1H2;(H,6,7)/t2-,3+,4-,5?;/m1./s1
InChIKeyRAJFOLOYJQTWFW-GJXHLSHESA-N
XLogP-1.95
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 5-1.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid?
The IUPAC name of (3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid (CID 160569565) is (3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid?
The InChIKey is RAJFOLOYJQTWFW-GJXHLSHESA-N. The full InChI is InChI=1S/C5H10O5.C2HF3O2/c6-2-1-10-5(9)4(8)3(2)7;3-2(4,5)1(6)7/h2-9H,1H2;(H,6,7)/t2-,3+,4-,5?;/m1./s1.
What are the key properties of (3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid?
(3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid has a molecular weight of 264.15 g/mol, XLogP of -1.95, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-oxane-2,3,4,5-tetrol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160569565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).