(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride

C6H11FO6 — CID 87585737

IUPAC(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride
SMILESO=C(F)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H11FO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h2-5,8-12H,1H2/t2-,3+,4+,5-/m1/s1
InChIKeyIJPVCOQVFLNLAP-MGCNEYSASA-N
MW198.15 g/mol
LogP-3.08
Rot. Bonds5

About (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride

(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride (PubChem CID 87585737) has the molecular formula C6H11FO6 and a molecular weight of 198.15 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride
PubChem CID87585737
Molecular FormulaC6H11FO6
Molecular Weight198.15 g/mol
Exact Mass198.05
IUPAC Name(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride
SMILESO=C(F)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H11FO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h2-5,8-12H,1H2/t2-,3+,4+,5-/m1/s1
InChIKeyIJPVCOQVFLNLAP-MGCNEYSASA-N
XLogP-3.08
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 5-3.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanethioic S-acid
CID 141273076
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethioic S-acid
CID 87079086
azane;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 175905684
copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 14475284
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;(2S,4R)-pentane-1,2,3,4,5-pentol
CID 175899129
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
2,3,4,5,6-pentahydroxyhexanoic acid;samarium
CID 174356569
pentacosazinc;tridecakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173246066

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride?
The IUPAC name of (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride (CID 87585737) is (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride.
What is the SMILES notation for (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride?
The canonical SMILES for (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride is O=C(F)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride?
The InChIKey is IJPVCOQVFLNLAP-MGCNEYSASA-N. The full InChI is InChI=1S/C6H11FO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h2-5,8-12H,1H2/t2-,3+,4+,5-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride?
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride has a molecular weight of 198.15 g/mol, XLogP of -3.08, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride is sourced from PubChem (CID 87585737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).