2,3-dihydroxy-4,5-dimethoxypentanoic acid

C7H14O6 — CID 22664319

IUPAC2,3-dihydroxy-4,5-dimethoxypentanoic acid
SMILESCOCC(OC)C(O)C(O)C(=O)O
InChIInChI=1S/C7H14O6/c1-12-3-4(13-2)5(8)6(9)7(10)11/h4-6,8-9H,3H2,1-2H3,(H,10,11)
InChIKeyFPZZQJWKBRDZIF-UHFFFAOYSA-N
MW194.18 g/mol
LogP-1.55
Rot. Bonds6

About 2,3-dihydroxy-4,5-dimethoxypentanoic acid

2,3-dihydroxy-4,5-dimethoxypentanoic acid (PubChem CID 22664319) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2,3-dihydroxy-4,5-dimethoxypentanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4,5-dimethoxypentanoic acid
PubChem CID22664319
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name2,3-dihydroxy-4,5-dimethoxypentanoic acid
SMILESCOCC(OC)C(O)C(O)C(=O)O
InChIInChI=1S/C7H14O6/c1-12-3-4(13-2)5(8)6(9)7(10)11/h4-6,8-9H,3H2,1-2H3,(H,10,11)
InChIKeyFPZZQJWKBRDZIF-UHFFFAOYSA-N
XLogP-1.55
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S,5R)-2,4-dihydroxy-3,5,6-trimethoxyhexanoic acid
CID 25209635
(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol
CID 15689262
(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid
CID 101261454
(2R,3S,4R,5R)-4-hydroxy-2,3,5,6-tetramethoxyhexanamide
CID 54343689
(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol
CID 88961080
(2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid
CID 88571219
(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
(2S,3R,4S,5R)-2,3,4-trihydroxy-5-methoxy-6-oxohexanoic acid
CID 87205204
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
(2R,4R)-1,2,3,4,5-pentamethoxypentane
CID 90327969
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4,5-dimethoxypentanoic acid?
The IUPAC name of 2,3-dihydroxy-4,5-dimethoxypentanoic acid (CID 22664319) is 2,3-dihydroxy-4,5-dimethoxypentanoic acid.
What is the SMILES notation for 2,3-dihydroxy-4,5-dimethoxypentanoic acid?
The canonical SMILES for 2,3-dihydroxy-4,5-dimethoxypentanoic acid is COCC(OC)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-4,5-dimethoxypentanoic acid?
The InChIKey is FPZZQJWKBRDZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O6/c1-12-3-4(13-2)5(8)6(9)7(10)11/h4-6,8-9H,3H2,1-2H3,(H,10,11).
What are the key properties of 2,3-dihydroxy-4,5-dimethoxypentanoic acid?
2,3-dihydroxy-4,5-dimethoxypentanoic acid has a molecular weight of 194.18 g/mol, XLogP of -1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4,5-dimethoxypentanoic acid is sourced from PubChem (CID 22664319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).