(2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride

C5H9FO4 — CID 148546987

IUPAC(2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride
SMILESC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)F
InChIInChI=1S/C5H9FO4/c1-2(7)3(8)4(9)5(6)10/h2-4,7-9H,1H3/t2-,3-,4-/m1/s1
InChIKeyRYNFKCJRFCTRDO-BXXZVTAOSA-N
MW152.12 g/mol
LogP-1.41
Rot. Bonds3

About (2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride

(2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride (PubChem CID 148546987) has the molecular formula C5H9FO4 and a molecular weight of 152.12 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride
PubChem CID148546987
Molecular FormulaC5H9FO4
Molecular Weight152.12 g/mol
Exact Mass152.05
IUPAC Name(2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride
SMILESC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)F
InChIInChI=1S/C5H9FO4/c1-2(7)3(8)4(9)5(6)10/h2-4,7-9H,1H3/t2-,3-,4-/m1/s1
InChIKeyRYNFKCJRFCTRDO-BXXZVTAOSA-N
XLogP-1.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,5S)-3,4,5-trihydroxy-2-oxohexanal
CID 15559386
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride
CID 87585737
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyheptan-2-one
CID 21126247
(3S,4R,5R,6S)-3,4,5,6-tetrahydroxyheptan-2-one
CID 89239779
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
(5S)-octane-2,3,4,5,6,7-hexol
CID 173491903
heptane-2,3,4,5,6-pentol
CID 59809248
potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate
CID 101160606
(2S,3R,5R)-1-amino-2,3,5,6,7-pentahydroxyoctan-4-one
CID 54132443
2-(1,2-dihydroxypropyl)propanedioic acid
CID 21198499
lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate
CID 175336599

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride?
The IUPAC name of (2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride (CID 148546987) is (2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride.
What is the SMILES notation for (2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride?
The canonical SMILES for (2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride is C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)F.
What is the InChIKey of (2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride?
The InChIKey is RYNFKCJRFCTRDO-BXXZVTAOSA-N. The full InChI is InChI=1S/C5H9FO4/c1-2(7)3(8)4(9)5(6)10/h2-4,7-9H,1H3/t2-,3-,4-/m1/s1.
What are the key properties of (2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride?
(2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride has a molecular weight of 152.12 g/mol, XLogP of -1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3,4-trihydroxypentanoyl fluoride is sourced from PubChem (CID 148546987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).