(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol

C10H11F9O6 — CID 18664166

IUPAC(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@](O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H11F9O6/c11-7(12,8(13,14)9(15,16)10(17,18)19)6(24)5(23)4(22)3(21)2(1-20)25-6/h2-5,20-24H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyBYVIQKHVECEBHV-VFUOTHLCSA-N
MW398.17 g/mol
LogP-0.38
Rot. Bonds4

About (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol

(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol (PubChem CID 18664166) has the molecular formula C10H11F9O6 and a molecular weight of 398.17 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol
PubChem CID18664166
Molecular FormulaC10H11F9O6
Molecular Weight398.17 g/mol
Exact Mass398.04
IUPAC Name(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@](O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H11F9O6/c11-7(12,8(13,14)9(15,16)10(17,18)19)6(24)5(23)4(22)3(21)2(1-20)25-6/h2-5,20-24H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyBYVIQKHVECEBHV-VFUOTHLCSA-N
XLogP-0.38
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol
CID 163323930
(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
CID 141114206
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3R,4S,5S,6R)-2-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141299257
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 170546402
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 57317456
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 150112365

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol (CID 18664166) is (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol is OC[C@H]1O[C@@](O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol?
The InChIKey is BYVIQKHVECEBHV-VFUOTHLCSA-N. The full InChI is InChI=1S/C10H11F9O6/c11-7(12,8(13,14)9(15,16)10(17,18)19)6(24)5(23)4(22)3(21)2(1-20)25-6/h2-5,20-24H,1H2/t2-,3-,4+,5-,6-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol?
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol has a molecular weight of 398.17 g/mol, XLogP of -0.38, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 18664166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).